I.

,
I.1

.

,
. D3 ( C3v)
.
.
.
A: 120 z c3
y
1
M

: 240 z c32
120 z
: 180 (c 2 )
L: 180 OL (c 2 )
M: 180 (c 2 )
: 0 360 z

K
C3v (c 2 ) , (c 2 ) , (c 2 ) , ( v , v , v )
, OL
xy. : x y ,
z (c 2 ) , (c 2 ) , (c 2 ) , ( D3)
v , v , v ( C3v).
,
. ..
,
: 1 2 , K: 2 3 ,
A: 2 3 , K: 3 2 ,
: 3 1 , K: 1 1 .
, : 1 3 , 2 2 , 3 1 ,
L. ,
L=KA.
6
, .
6 ,
.


( ) : 1 2 , 2 1 , 3 3 ,
.
(KAAK).
==, ==, ==, LE=EL=L, ==,

( ).
.
==, 2=L2=M2=E.
, ,
.
: , , C, D,
A)
B)
C) ( ) P
EP=PE=P ( )
D) P P-1
, PP-1=P-1P=E
E) P(QR)=(PQ)R=PQR
( )

, ()-1=-1-1,
() ()-1 .
.
D3
D3
e
c2
c 2
c 2
c3
c32
e
e
c2
c 2
c 2
c3
c32
e

c 2

c2

c 2

c32

c32
e

c3

c 2

c 2

c2

c2

c2

c 2

c 2

c3

c32

c 2

c 2

c 2

c2

c32

c3

c 2

c 2

c2

c 2

c3

c32

c3

c3

c32

C3v.

. .
AB=AC A-1(AB)=A-1(AC) B=C, .
. ,
, , = =, =.
.
P AP=PA=BP=PB=E.
A=EA=(BP)A=B(PA)=BE=B.

 (order) .
D3 e, c3 , c32 , c 2 , c 2 , c 2 , 6.
,
.

. D3
e, c3 , c32 , {e, c 2 }, {e, c 2 }, {e, c 2}.
c3 c2
. .
D3 (c3 , c 2 ) , (c3 , c 2 ) , .
,
(basis).
(rank) . .. D3 p,
q p3=q2=(qp)2=e. {e, p, p 2 , q, qp, qp 2 }.
p3=q2=e p 3, q 2.
G p p n G n. ..
e, c3 , c32 .
n pn=e,
. n ,
n .
( ).

I.2
P(x,y,z).

z,
P ( X , Y , Z ) .
OA = OC = OB cos B P sin
AP = C P = OB sin + B P cos

x = X cos Y sin X = x cos + y sin

y = X sin + Y cos Y = x sin + y cos
Z = z
z=Z

y
P(x,y,z)

P(X,Y,Z)

(X,Y,Z)
C
P
(x,y,z).
,
.
.


.
z, ,
x,y,
x,y .
R( , z ) z,
f(x,y,z) .
. ..
R( , z ) Schrdinger H = E ,
n
n
kee 2
h2 n 2 n
ne 2
n

+
k
i

e
2m i =1
ri
rij
i =1
i =1 < j
, 1 2 3
- .

2
2
ri 2 = xi2 + y i2 + z i2 = ( X i cos Yi sin ) + ( X i sin + Yi cos ) + Z i2 = X i2 + Yi 2 + Z i2

2
2
2
2
2
2
rij2 = (xi x j ) + ( y i y j ) + (z i z j ) = (X i X j ) + (Yi Y j ) + (Z i Z j )

2
2
2
2
2
2
+
+
=
+
+
xi2 y i2 z i2 X i2 Yi 2 Z i2
H ( xi , y i , z i ) = H ( X i , Yi , Z i ) , R( , z )
.

H 1 = E 1 H ( X i , Yi , Z i ) 2 ( X i , Yi , Z i ) = E 2 ( X i , Yi , Z i )
2 1 [.. 2p xf(r)
( X cos Y sin ) f (r ) ]. 1 , 2 ,

.

xi X i , y i Yi , z i Z i

xi X i , y i Yi , z i Z i
,

3 1
3 1
, ,
, .
(0,1),
2 2 2
2
1
1 2 (c3) M
L
=-120
120.
1
3
3
1
x 2 = x1
y1 , y 2 =
x1 y1
2
2
2
2

2
3

H =

x
2 2
=
y2 3

2 x1 .
1 y
1
2

1
3

2
2
.

c3
3
1

2
2


1
1
1
3
3
3

1
0

2 , c
2 , c 2
2
2

,
c32 2
c

2
2
2
0 1
3

3
1
1
3
1

2
2
2
2
2
2
1 0
.
e
0 1
,
D3. 6
,
.

.
I.3
- (Z)
e=0.
- (Q) e=0.
- (R) (C)
e=0.
X -X.
-
: - , - . 1 1/X
X.
- module n. 0, 1, 2,...,
n-1. e=0 X n-X.
-
.
- ()
, e=( 0)
.
- 1 e .

- 2 ( 2) {e, a} , a2=e.
. ,
.
- 3 {e, a, b}. a2=e, {e,a}
.
. , a2=b,
{e, a, a 2 }.

- 4. : e, a, a 2 , a 3
{e, a, b, c} , ab=c ac=e.
a2=b, ac a,b c, ac=e.
ab=c. a3=c a4=e, .
a2=e, ab b,a,e, ac=b.
b2=a c, . b2=e c2=e.
ba=c ( a,e,b) ca=b,

e
e
a
b
c

e
a
b
c

a
a
e
c
b

b
b
c
e
a

c
c
b
a
e

I.4
pn n 1,
2
3 K n
1
.
2, 3, , n, p =
p1 p 2 p 3 K p n
1 p1 , 2 p 2 , 3 p3 ..., n p n . 1, 2, 3, ...n

1 2 3 4
1 3, 2
. .. p =
3 1 4 2
1, 3 4 4 2.

2
3 K n
1 2 3 K n 1

=
qp =
q1 q 2 q3 K q n p1 p 2 p3 K p n

p
= 1
s1

p2
s2

p3 K p n 1

s3 K s n p1

2
p2

3 K n 1
=
p3 K p n s1

2
s2

3 K n

s3 K s n

..
1 2 3 4 1 2 3 4 1 2 3 4

=

qp =
2 3 4 1 3 1 4 2 4 2 1 3

1 2 3 4
1 2 3 4
=
.
p =
3 1 4 2
2 4 1 3

.
p=(1342) qp=(1234)(1342)=(143)(2), p-1=(1243).
n n! ,
. .. n=3 3!=6 , :
1 2 3
1 2 3
1 2 3
= (1)(23) ,
= (1)(2)(3) , a =
= (12)(3) , b =
e =
1 3 2
1 2 3
2 1 3
1 2 3
1 2 3
1 2 3
= (123) ,
= (132) , f =
= (13)(2) , d =
c =
2 3 1
3 1 2
3 2 1
.
D3 C3v.
1

I.5

. . ..
, a, b
(ab) a b.
, ,
:
(1) aa (
).
(2) . ab, b a.
(3) , ab bc, ac.
,
, .
.
(3),
. .
.
.
,
.
. G G ,
(i)
GG ( ),
GG GG.
(ii)
(iii) GG GG GG.
G U. aU,
aG a .
G U n. aG
(left coset) aU,

 (right coset) Ua. a U,

. a
,
, .
aU bU ( Ua Ub),
. :
api=bpj pU a=bpjpi-1 apr=b(pjpi-1)pr=bps (prpi),
. aU (
Ua), n G.
,
. n ( Euler-Lagrange).
.
.. D3 (C3v) 3 2.

I.6
a, b G c
, b = cac 1 .
.
.
b a, a b.
, b = cac 1 , a = c 1bc = (c 1 )b(c 1 ) 1 = c bc 1 , c = c 1 G .
b a d b, d a.
, b = cac 1 d = c bc 1 = c cac 1c 1 = (c c)a(c c) 1 = c ac 1 .

. .
.

r

G = K i , r .
i =1

,
r

= g = .

e ,
a e = aea 1 .
, ,
.
G1 G2 G1 G2
ai b j = b j ai , ai G1 b j G2 .
G1 G2 K ij = K1i K 2 j , K1i, K2j G1 G2
. r = r1 r2 .


g.
.
D3. e={e}.
K 3 = c3 , c32 . K 2 = {c 2 , c 2 , c 2} .
C3v K = { v , v , v} .

.
K , a
aKa 1 = K .
, .
K i K j G,

K i K j = cijl K l , cijl .
.. D3 (C3v) .
K 3 K 3 = c3 c32 c3 c32 = 2e c3 c32 = 2 K e K 3
K3K2

(
= (c

)(
c
c )

2
3

c 2 c 2
= 2 K 2

v v v
2

Ke
K3
K2()

Ke
Ke
K3
K2()

K2()
K2()
2 K2()
3Ke+3 K3

K3
K3
2Ke+ K3
2 K2()

. a n = e n

. b n = cac 1 = ca n c 1 = cec 1 = e .
.. .
: .

(..
).
G a G ,
( a) Va ,
(normalisator). : e Va .
b1 a = ab1

b2 a = ab2 ,

b1 , b2 Va ,

(b1b2 )a = b1 (b2 a ) = b1 (ab2 ) = (b1a )b2 = (ab1 )b2 = a(b1b2 )

b1b2 Va .

b1 a = ab1 , ab11 = b11 a b11 Va . a ,

Va = G . G (
) G = Va + x1Va + x 2Va + K + x r 1Va .
10

eae 1 = a, x1 ax11 = a1 , x 2 ax 21 = a 2 ,K , x r 1 ax r11 = a r 1

, ( )
Ka ra . : x1ax1-1=x2ax2-1,
(x2-1x1)a=a(x2-1x1), x2-1x1=b Va. x1=x2b (
x2=x1b-1), Va,
x1 ( x2) Va x2Va ( x1Va)
.
Ka G.
G.
c G, cHc 1
G, .
G . :
hi , h j H (chi c 1 )(ch j c 1 ) = c(hi h j )c 1 = chk c 1 cHc 1 .

)(

chi c 1 chi1c 1 = chi hi1c 1 = e chi1c 1

chi c

cec

= e . .

cHc 1 . cHc 1 = H
G,
G.
cHc 1 ,
.
.. C3v ( D3) {e, v }, {e, v }, {e, v}
, {e} { v , v , v} .

{e, c3 , c32 } {e} {c3 , c32 }.

.
cH = Hc ,
.

11

.
II.1

C 3v = e, c3 , c32 , v , v , v

D3 = e, c3 , c , c 2 , c 2 , c 2
,
x,y,z. .. 1 = xf (r ) 2 = yf (r )
( r 2 = x 2 + y 2 + z 2 , c3 ( = -120)
2
3

3
1
3
x
f (r ) +
yf (r ) = 1 +
2
2
2
2
2
3
1
3
1
c3 {yf (r )} = c3 { 2 } =
xf (r ) yf (r ) =
1 2
2
2
2
2
( r ).
1
3

2 { , }
c3 {1 , 2 } = 2
1
2
3 1
2
2
c32
c3 {xf (r )} = c3 {1 } =

c32 {1 , 2 } = 2
3
2

2 { , }
1
2
1

2

1 0
v (c 2 ){1 , 2 } =
{1 , 2 }
0 1

1 0
e{1 , 2 } =
{1 , 2 }
0 1

v (c 2 ){1 , 2 } =

1
2
3
2

2 { , }
1
2
1

2

1
3

2 { , }
v(c 2 ){1 , 2 } = 2
1
2
3 1
2
2

, ..
1
1
3
3

2 1 0 = 2
2 =
c32 v = 2
v

3 1 0 1 3 1
2
2
2
2

12

 1
3 1
3

2 2 2 = 1 0 =
c3 v = 2
.
v

3 1 3 1 0 1
2
2 2
2

.
,
.
C 3v ( D3 ).
C 3v ( D3 )

4 = (x 2 + y 2 ) f (r ) , .
g G
g { 4 } = { 4 } , 11 1.

,
1.
.
D3 3 = zf (r ) ,
.
e, c3 , c32 3 .

180 z -z, .

D3 11 1 e, c3 , c32 1
.
11 .
.
,

.
D(G) G
(non-singular) P,
L : D(G):gG P(g)Pg. L
G.
D(G) G ( )
P, .
G
, (
).
L
.
L, Pg
,

13

 .
.

xf (r ), yf (r ) ,
c1 xf (r ) + c 2 yf (r ) .
. .. ( x + iy ) f (r )
( x iy ) f (r ) ,
1
3
( x + iy ) f (r ) .
c3 {( x + iy ) f (r )} = c3 {xf (r )} + ic3 {yf (r )} = i

2
2

.
{1 , 2 ,...., n } n- ,

( ) T j = Dij (T )i .
i

T j = D ji (T )i
i

.
A, B C = A B
C j = A( B j ) = A[ Dij ( B)i ] = Dij ( B)[ Ai ] = Dij ( B) Dki ( A) k = Dki ( A) Dij ( B) k
i

i ,k

i ,k

C Ci = Dki (C ) k .
k

Dki (C ) = Dki ( A) Dij ( B ) ,

i

C A, B.

, j = Pij i

j = P .
1
ij
i

T j = T [ Plj l ] = Plj Tl = Plj Dkl (T ) k = Plj Dkl (T ) Pik1i .

l

l ,k

l , k ,i

D ,
T j = Dij i .
i

Dij (T ) = Pik1 Dkl (T ) Plj , D (T ) = P 1 D(T ) P .

k ,l

D D.
D, D
P
D (T ) = P 1 D(T ) P .
,
D .
D = D ,

14

. ,
.
,
.
,
.
,
D = {Pa a G}, D = {Pa a G} , Pa Pa

(non-singular) S Pa = S 1 Pa S
a G .
,
( ) ,

.
, . , ,
.
- .
II.2

[xf(r),yf(r),zf(r)]
C 3v (32) .
( )
.

1 = xf (r ), 2 = yf (r ), 3 = zf (r ) .

1
3
2 + 0 3
c3 {1 } = 1 +

2
2
2

3
1
3
1
0 {1 , 2 , 3 }
1 2 + 0 3
c3 { 2 } =
c3 {1 , 2 , 3 } =

2
2
2

2
c3 {3 } = 0 1 + 0 2 + 1 3

0
0
1

15

3
2 + 0 3
2
2
3
1
c32 { 2 } =
1 2 + 0 3
2
2
2
c3 {3 } = 0 1 + 0 2 + 1 3
c32 {1 } =

1 0 0

e{1 , 2 , 3 } = 0 1 0 {1 , 2 , 3 }
0 0 1

1

2

3
c32 {1 , 2 , 3 } =
2

3
2
1

2
0

0 {1 , 2 , 3 }

1 0 0

c 2 {1 , 2 , 3 } = 0 1 0 {1 , 2 , 3 }
0 0 1

1
1

3
3

0
0
2
2
2
2

1
3
1
c 2 {1 , 2 , 3 } =

0 {1 , 2 , 3 } c 2{1 , 2 , 3 } =
0 {1 , 2 , 3 }
2
2
2
2

1
0 1
0

0
22
( ) 11 (
). 33 3-
ij (T ) 0
.

0
A
(
T
)

.
1 = ( x + y ) f (r ) ,
2 = ( y + z ) f (r ) , 3 = ( z + x) f (r ) ,

x
y
3
3
3
3
f +
yf
xf f = 1 +
2
3
2
2
2
2
2
2
2
1+ 3
3 3
1 3
3
y
1 +
2 +

c3 { 2 } =
xf f + zf =

4
4 3
2
2
4

3+ 3
1 3
3 3
3
x
1 +
2 +

c3 {3 } = zf f +
yf =

4 3
2
2
4
4

33 .
() ,

( 1 = 1 + 2 , 2 = 2 + 3 , 3 = 1 + 3 ).
.
Dij(T) G
D(1), D(2), D()
c3 {1} =

16

D (T ) = P 1 D(T ) P Dij(T)
Dij(1) (T )

( 2)

Dij (T )

(j)

, D (T)

( )

Dij (T )

( 11) .
D = D(1)+ D(2)+ . +D().
D(j) .
(
). D
(unitary), ( )
.

(unitary), .
D = m j D ( j ) , D(j)
j

.
Dij(1) (T )

( 2)

Dij (T )

D(j)

( )

Dij (T )

n- .
D = m j D ( j ) -
j

D(T). -
.
Dij(1) (T )

( 2)

Dij (T )

( )

Dij (T )

-
. C 3v (32) ( D3 )
( , )
- .

17

 . ( )
.
P 1 D(T ) P
Dij(1) (T )

( 2)

Dij (T )

. P

Dij( ) (T )

.
D (T ) -
D (T ) = D (1) (T ) + D ( 2) (T ) + K + D ( ) (T ) . ( D(j)(T)
). D (T ) n-
. n-
() ( )
. L = L(1) + L( 2 ) + K + L( )
n- .

.
C 3v (32) ( D3 )

L{x 2 , y 2 , z 2 , xy, yz, zx}.

, x 2 , y 2 , z 2 , xy, yz, zx 2
x, y, z. 6- L
2 x, y, z. (
6 ).
c3

4
3

4
0
,
0

3
4
1
4
0
0
0
3
2

0
1
0
2
3
0
2

0
3
2
1

2
0

4
3

4
0
.
0

1

2

.
;

18

 x 2 + y 2 + z 2
. .
, .
1 = 2 xy, 2 = x 2 y 2 ,
2 2
1
4 = 2 zx, 5 =
x + y 2 + z 2 , 6 =
3z 2 r 2
(

3 = 2 yz ,
5
3
16
), (1, 2 ), (3 , 4 )

15
( ).
(5 ), (6 ) . D = + + 1 + 1
L = (1, 2 ) + (3 , 4 ) + (5 ) + ( 6 ) .

II.3

;
D = S 1 D S
Dij = S ik1 Dkl S lj , ( ) ,
, .

S ik1 Dkl (T ) S li = S ik1 S li D kl (T ) = kl Dkl (T ) = Dkk (T )

i Dii (T ) = i
, k ,l
k ,l i
k ,l
k

.
.

B = K 1 AK , .

. ,
.
( g ) = Tr {Pg }
g G , Pg
L. e (i )

{ }

( g ) = Tr {D( g )} = e (i ) Pg e ( i ) = Dii ( g )
i =1

.
(e) = n = L.
,
(T ) = ( ) (T ) + ( ) (T ) + K + ( l ) (T )
D = D ( ) + D ( ) + K + D ( l ) .
D = D ( ) D ( ) .
D() L( ) = {e } T

19

 T {ei( ) } = Dki( a ) (T )ek( a ) .

k

L = {e }
T ei( ) = Dki( a ) (T )ek( a ) . D = D ( ) D ( )

( )

()

{ }

,
L( ) L( ) = {ei( ) e (j ) } = e1( ) e1( ) , e1( ) e2( ) , K , e1( ) en( ) , e2( ) e1( ) , e2( ) , K , en( ) en( ) .

T ei( ) e (j ) = Dki (T )ek( ) Dlj (T )el( ) = Dki (T ) Dlj (T )ek( ) el( )

k
l
k ,l
( ) ( )
e e
ei( ) e (j ) T ei( ) e (j ) ,

k=i, l=j,

( )
ii

(T ) D

i, j

( )
jj

(T ) = Dmm (T ) = Dii( ) (T ) D (jj ) (T ) = Dii( ) D (jj ) = ( ) (T ) ( ) (T ) .

i, j

. .. (32)
(e) = 2.2 = 4, (c3)=( c32 )=1, ...

II.4 - D3 C 3v

- D3 ( C 3v )
{e}
D
{c2 }( v ) {c2 }( v )
{c2}( v )
{c3 }
c32

{ }

1 0

0 1

()

1 0

0 1

1
()
2

-1

-1

-1

2
3

2
1

2

1

2

2
1

2

2
1

2

1
2
3
2

2
1

2

{e}

{c3 }

{c }
2
3

{c 2 }

{c 2 }

{c 2}

()
1 ()
2

2
1
1

-1
1
1

-1
1
1

0
1
-1

0
1
-1

0
1
-1

20

D
()
1 ( )
2

{e}

{c , c }

{c2 , c2 , c2}

2
1
1

-1
1
1

0
1
-1

2
3

. ,
,
. .
.
-
( D3 3).

( ) = 6 = 22 + 12 + 12= {e}
( )
-
. .. - n1 ,
n2 , n3 n12 + n22 + n32 = 6 n1 = 2 , n2 = 1 n3 = 1 .
2- -
. 1 (=
). 1 1,

D
()
1 ( )
2

{e}

{c , c }

{c2 , c2 , c2}

2
1
1

2
3

. ( ) ( g ) ( ) ( g ) = h .
gG

()=() ,

. 2 2 + 2 2 + 3 2 = 6 = 1 , = 0 .
12 + 2 2 + 3 2 = 6 , = 1 .
()() .
1 + 2 + 3 = 0 , ,
= 1 = -1.
2 + 1 + = 0 , = -1.
2 + 1 + = 0 , = 0.

II.5 : D4
4 , 4 2
x,y, x , y ( x , y 45).
4 (xz, yz, v , u ) C 4 v
D4 . 8 . ,
21

D4

c4

c 42

c 43

c2 x

c2 y

c 2 x

c 2 y

c4

c 42

c2 x

c2 y

c 2 x

c 2 y

c4

c4

2
4

3
4

c 43
e

c 2 x

c 2 y

c2 y

c2 x

c 42

c 42

c4

c2 y

c2 x

c 2 y

c 2 x

c 43

c 43

c 43
e

c4

c 42

c 2 y

c 2 x

c2 x

c2 y

c2 x

c2 x

c 2 y

c2 y

c 2 x

c 43

c4

c2 y

c2 y

c 2 x

c2 x

c 2 y

c 42
e

c4

c 43

c 2 x

c 2 x

c2 x

c 2 y

c2 y

c4

c 43

c 2 y

c 2 y

c2 y

c 2 x

c2 x

c 43

c4

c 42

c 42
e

c
e

2
4

e, c 42 , e, c 4 , c 42 , c 43 , {e, c 2 x } , {e, c 2 y }, {e, c 2 x }, {e, c 2 y }, {e, c 42 , c 2 x , c 2 y }.

{ }{

c 4 , c 43
, (P-1AP) .
{c 42 } .
{c2 x , c2 y }, {c2 x , c2 y }. 5 ( e).
-
5. d12 + d 22 + d 32 + d 42 + d 25= 8 ,
d1 = 2, d 2 = d 3 = d 4 = d 5 = 1 .
{e}
( )
1
2
1
2

{ c 42 }

2
1
1
1
1

( g )
( )

gG

( )

{c , c }
3
4

{c

2x

, c2 y }

{c

2 x

, c 2 y }

( g ) = h

1. 1+ + 2 + 2
+2 =1+ + 2 + 2 + 2 =1+ + 2 + 2 + 2=0. , ,
1,
(.. + + =0).
1. ===1. ++=++=++= 1.
1 1.
= 2. 22+2+22+22+22=8
===0.

22

( )
1
2
1
2

2
1
1
1
1

[c

[c , c ]

c 42
-2
1
1
1
1

3
4

0
1
1
-1
-1

2x

, c2 y

0
1
-1
1
-1

[c

2 x

, c 2 y

0
1
-1
-1
1

zf (r ) 2
, .

[xf (r ), yf (r )] .
. 1
(x 2 + y 2 ) f (r ) , .
1. c 42 .

x x, y y . f ( x 2 , y 2 ) .
c 2 x ( y y ) c 2 y ( x x ) .
c 4 ( x y, y x ) , c 43 ( y, y x ) ,
c 2 x ( x y, y x ) c 2 y ( x y, y x ) .

4 = (x 2 y 2 ) f (r ) . 2
c 2 x ( x y, y x ) , c 2 y ( x y, y x ) ,

c 4 ( x y, y x ) , c 43 ( y, y x ) , c 2 x ( y y ) , c 2 y (x x ) .

5 = xyf (r ) .

6- L = x 2 , y 2 , z 2 , xy, yz, zx ,

( )
.
,
e : L L, tr = 6
c 4 : ( x y, y x, z z ), L y 2 , x 2 , z 2 , xy, xz, yz tr = 0

c : ( x x, y y, z z ), L x , y , z , xy, yz, xz tr = 4 2 = 2
c : ( x y, y x, z z ), L y 2 , x 2 , z 2 , xy, xz, yz tr = 0
2
4
3
4

c 2 x : ( x x, y y, z z ), L {x , y , z , xy, yz, xz} tr = 2

2

c 2 y : ( x x, y y, z z ), L x 2 , y 2 , z 2 , xy, yz, xz

tr = 2

} tr = 2
, xy, xz, yz} tr = 2

c 2 x : ( x y, y x, z z ), L y 2 , x 2 , z 2 , xy, xz, yz

c 2 y : ( x y, y x, z z ), L y 2 , x 2 , z 2
(6,2,0,2,2)
- .
(
):
()

23

2 6 + (2) 2 + 0 0 2 + 0 2 2 + 0 2 2
= 1
8
1

1 6 + 1 2 + 1 0 2 + 1 2 2 + 1 2 2
= 2 1
8
2
1 6 + 1 2 + 1 0 2 + (1) 2 2 + (1) 2 2
= 0 2
8
1
1 6 + 1 2 + (1) 0 2 + 1 2 2 + (1) 2 2
= 1 1
8
2
1 6 + 1 2 + (1) 0 2 + (1) 2 2 + 1 2 2
= 1 2
8
D = 2 A1 1 2 .
2
B2 : 2 xy ,
: (2 xz,2 yz ) ,
A1 :
x2 + y2 + z2 ,

B1 : x 2 y 2 ,
15
1
A2 :
2 z 2 x 2 y 2 , 16 / 15 .
3

II.6 Schur

Schur. Schur
:
0, L
- D(G) G
Pg , APg=PgA Pg
g G , =e (
).
, :
- Aik , Aik=ik.
:
-
ik, -.
:
ij(1) (T ) ik( 2 ) (T ) - (1), (2)
( n1 n2) G P ( n1n2)

24

 P (1) (T ) = ( 2 ) P ( T G ),
:
(i) (1) (2) , P=0.
(ii) (1) (2) , P=0 P 0 .
(iii) ij(1) (T ) = ik( 2 ) (T ) , (
), P=0 P= .

n2 u i

(2), Tu j = ij( 2 ) (T )u i . n1
i

j = Pij u i . n1n2 (
i

).
T j = TPij u i = Pij Tu i = Pij ki( 2 ) (T )u k = ki( 2 ) (T ) Pij u k .

(1)
ij

ki

i ,k

i ,k

(T ) = (T ) Pij .
( 2)
ki

T j = Pki ij(1) (T )u k = ij(1) (T ) Pki u k = ij(1)i .

i ,k

i ,k

i (1) . n1n2 . P=0 n1= n2.

( n1= n2) i
. n1 j,
j j = 0 . n1 j j Pij = 0 i.
j

= j Pij u i = 0 .

i, j

Pij = 0

j = 0 j, P 0 .
ij(1) (T ) = ij( 2 ) (T ) P 0, 0 P I = 0 .
Q = P , Q = 0 .

w j = Qij u i = (Pij ij )u i = j u j .
i

Tw j = T ( j u j ) = T j Tu j = ij (T )i Tu j .
i

Tu j = ij( 2 ) (T )u i = ij(1) (T )u i .
i

Tw j = ij(1) (T )i ij(1) (T )u i = ij(1) (i u i ) = ij(1) w i .

i

wi (1)
Q Q 0 , Q = 0.

25

 Q, Q = P = 0,
P = , .

II.7

( -1
), .
.. D3
D3

c3

c32

c2

c 2

c 2

c3

c32

c2

c 2

c 2

(c3 ) 1

c32

c3

c 2

c 2

c2

(c32 ) 1

c3

c 2

c2

c 2

(c 2 ) 1

c2

c32
c 2

c 2

c3

c32

(c 2 ) 1

c 2

c 2

c2

c32

c3

(c 2 )

c 2

c2

c 2

c3

2
3

66 ( gg,
g ).
0
1
. .. c3 D3

0 1 0 0 0 0
1 0 0 0 0 0

0 0 1 0 0 0
0 1 0 0 0 0
1 0 0 0 0 0
0 0 1 0 0 0
reg
reg

=I.

, D (e) =
D (c 3 ) =
0 0 0 0 1 0
0 0 0 1 0 0
0 0 0 0 0 1
0 0 0 0 1 0

0 0 0 1 0 0
0 0 0 0 0 1

reg
1
Dij ( A) = 1 Ti T j = A ( Ti
), Dijreg ( A) = 0 .

.
D reg ( BC ) = D reg ( B ) D reg (C ) Dijreg ( BC ) = Dikreg ( B) Dkjreg (C ) .
k

D reg ( BC ) T 1T = D reg ( B) T 1T D reg (C ) T 1T .

i

, 0 1.
1 0,

26

 0, B = Ti 1Tk C = Tk1T j k.
BC = Ti 1Tk Tk1T j = Ti 1T j ,
D reg ( BC ) T 1T .
i

.
e ,
1 -
. reg (e) = g =( ),
.
-
. , ,
. j - j
1
1
j = j (T ) * reg (T ) = j (e) * reg (e) = j (e) * = n j = ( -
g T
g
).
-
, .
D reg = n1 D (1) + n2 D ( 2 ) + K + nr D ( r ) , r . ()

- .
j =r

g = n12 + n22 + K + nr2 = n 2j .

j =1

- n j g (
- ).
II.8 1

P =

D (T
( )

)CD ( ) (T ) ,

T G

G. D() D() C
.
PD ( ) ( S ) = D ( ) (T 1 )CD ( ) (T ) D ( ) ( S ) = D ( ) (T 1 )CD ( ) (TS )
T

D(T ) D( S ) = D(TS ) .
PD ( ) ( S ) = D ( ) ( S ) D ( ) ( S 1 ) D ( ) (T 1 )CD ( ) (TS ) =D ( ) ( S ) D ( ) ( S 1T 1 )CD ( ) (TS ) =
T

= D ( ) ( S ) D ( ) (TS ) 1 CD ( ) (TS ) = D ( ) ( S ) D ( ) ( A) 1 CD ( ) ( A) =D ( ) ( S ) P
T G

AG

Schur, P=0 D()

D() , P=C D() D() ( C

27

 C). C ,
(Cij=1).
Pkl(ij ) = Dki( ) (T 1 ) D (jl ) (T ) =ij kl
T

D()= D()

D (T
( )
ki

D (T

) D (jl ) (T ) =ij kl

( )
ki

) D (jk ) (T ) =ij .

D (T
( )
ki

) D (jk ) (T ) = Dki( ) (T 1 ) D (jk ) (T ) = D (ji ) (e) = g ij = ij = n ij

T

g n .
(unitary),

D ( ) (T 1 ) = D ( ) (T ) = D ( ) (T ) transpose Dki( ) 1 (T ) = Dik( )* (T )

ij ,

( )*
ik

(T ) D (jl ) (T ) =

1 .
l=j k=i

( )*
ii

g
ij kl ,
n

(T ) D (jj ) (T ) =

g
ij
n

i j,

( )*

(T ) ( ) (T ) =g ,

-
.
()()
g- . ,
.
D (T ) = D ( ) (T ) + D ( ) (T ) + K + D ( ) (T ) = c l D ( l ) (T ) ,
l

(T ) =

( )

(T ) +

( )

(T ) + K +

( )

(T ) = cl (l ) ,
l

(T ) ( )* (T ) = cl (l ) (T ) ( )* (T ) = cl (l ) (T ) ( )* (T ) = cl g l = gc
T

1
( )* (T ) (T ) .

g
.
c =

II.9

,
; Dij( ) (T ) -

28

 L.
)
ij( ) = Dij( )* (T ) T i j.

( )

)
))
))
))
A ij( ) = Dij( )* (T ) AT = il Dlj( )* (T ) AT = Dik( )* ( A 1 ) Dkl( )* ( A) Dlj( )* (T ) AT =
T

k ,l

))
= Dik( )* ( A 1 ) Dkj( )* ( AT ) AT = Dik( )* ( A 1 ) kj( ) = Dki( ) ( A) kj( )
k

( )
ij

L ( i)
- D()(). i=j
)
)
Dii( )* (T ) T = ( )* (T )T
i ii( ) = ( ) =
i
T
T
)
)
( )
( )*
Pij Dij (T ) T P ( ) ( )* (T ) T

( )

,
() .
)
D3 Pij( ) Dij( )* (T ) T
T

)
) )
)
)
)
) )
) )
)
)
)
)
P ( A1 ) = Pe + Pc3 + Pc 2 + Pc2 + Pc2 + Pc2 , P ( A2 ) = Pe + Pc3 + Pc 2 Pc2 Pc2 Pc2 ,
3

)
) )
)
)
)
)
3
1 )
P11( ) = Pe Pc2 + Pc2 + Pc2 Pc3 Pc 2 , P12( ) =
3
2
2
)
) )
)
)
)
)
1
3 )
P21( ) =
Pc3 Pc 2 + Pc2 Pc2 , P22( ) = Pe + Pc2
3
2
2

(P)
(P)

)
)

c32

)
)
)
Pc3 + Pc2 Pc2 ,

c2

)
)
)
+ Pc2 + Pc3 + Pc 2
3

II.10 2

g
Dij( ) ( A) Dkl( )* ( A) = jl ik D (ji ) 1 ( B )

n
AG
, i, j
n Dij( ) ( A) D (ji )1 ( B) Dkl( )* ( A) =gDlk( )1 ( B) = n Dij( ) ( A) D (ji )1 ( B) Dlk( )1 ( A)
i, j , , A

i, j , , A

n Dij( ) ( A) D (ji )1 ( B) = n Dij( ) ( A) Dij( )* ( B) = g AB .

i, j

i , j =1

2 .
1
r

( )* (T ) ( ) (T ) = g = na ( )* ( K a ) ( ) ( K a )
T

a =1

29

 Ka a , r
na a .
r- r
( ) ( K a ) n a , .
( )* ( K b )

r

n
a =1

( ) ( K a ) ( )* ( K b ) ( )* ( K a ) = g ( )* ( K b )
r

g
ab ,
na
=1
, r -
.
D3
- .
(
) r .
- r r (

).

( )*
1
( )
(T ) (T ) =g ,

(K

( )

) ( )* ( K b ) =

a =1

( )* ( K a ) ( ) ( K a ) = g .

-
r- .
na ( )

( K a ) . r g
r r
,
.

n
a =1

( )* ( K a ) ( ) ( K a ) = g

r r , r r .
r = r .
(-) -
.
D3.
g
ij kl -
n
T
D3 (=, n=2)

( )*
ik

(T 1 ) D (jl ) (T ) =

30

3 3
3
3
0,
,
,
,
0
,
,

2
2
2
2

1 1
1 1
1, , ,1, , ,
2 2
2 2

1 1
1 1
3
3
3
3
, 1, , ,1, ,
0,

,
0
,
,

,
2
2 2
2
2
2
2 2

1(1,1,1,1,1,1), 2(1,1,1,-1,-1,-1) .
4 6/2=3, 1 2 6/1=6.

n D ( A) D

( ) 1
ji

( )
ij

i, j

( B) = n Dij( ) ( A) Dij( )* ( B) = g AB
i, j

. .. =e
1

3
3
1
+ 0
=c3 2 1 + 0
1
+

+ 1 1 + 1 1 = 0 .

2
2
2
2

2 (1,0,0,1),1,1 ,

1
3 3 1
,
, ,1,1 ,
2 ,
2 2
2
2

1 3 3 1
2 ,
,
, ,1,1
2

2 2 2

1 3

3 1
,
, ,1,1 ,
2 ( 1,0,0,1),1,1 ,
2 ,
2
2
2 2

3
3 1
,
, ,1,1
2 ,
2
2
2
2

6 (=g).

..
2

x
x2 3y 2
3
3
Pe x = x , Pc3 x =
y =
+
+
xy ,
4
4
2
2 2

[ ]
2

[ ]

[ ]
2

[ ]

[ ]
[ ]
[ ]

3
x2 3y 2
+
+
xy
Pc2 x 2 = x 2 , Pc2 x 2 =
4
4
2
)
)

P ( A1 ) x 2 = 3( x 2 + y 2 ) = P ( A1 )
)
)
)
P ( A1 ) [xy ] = 0 = P ( A2 ) [xy ] . P22( ) x 2
)
P21( ) x 2 = 3xy .

[ ]

[ ]

[ ]

x2 3y 2
3
Pc 2 x 2 =
+

xy ,
3
4
4
2

3
x2 3y 2
Pc2 x 2 =
+

xy .
4
4
2
)
y2 ,

P ( A2 ) x 2 = 0 .
)
)
3
= (x 2 y 2 ), P11( ) x 2 = P12( ) x 2 = 0 ,
2

[ ]

[ ]

[ ]

31

III.
III.1
,
.
, .
.
,
,
, .
n = 2 cn
n
n-, n
n
. (c n ) = c nn = e .
c nm c nl = c nl c nm = c nm +l .
n .
, .
.. c n ( z ) c nz z 2/n.

2
= e . {e, } .
, ( z ) z ,
z ( xy).
xyz,
z
x = x cos y sin
x cos sin 0 x
x

y = x sin + y cos

y = sin cos 0 y = c( ) y .

z 0
z
z = z
0
1 z

c() .
yz ,
x = x
x 1 0 0 x
x

y = y
y = 0 1 0 y = x y .
z 0 0 1 z
z
z = z

1 0 0

, .. x y z = 0 1 0 = i J = .
0 0 1

n=2/n
sn.
.

32

c nm
m =
.
s n = cn h = h cn , s = m
c n h m =
m =
e
, s n2 n = e , sn 2n,
s nn =

=
h
n .

c nm
m =
m =
e
m
in = c n i = i c n , in = m
inn =
,
c n i m =
i m =
m
n

in2 n = e .

( 180
i = i1 = s 2
)
i2 = s1 = h 180

i4m = c 4m i m = c 4m s 2m = c 4m c 2m hm = c 4m c 42 m hm = c 43m hm = c 44 m h4 m = s 44 m ,
i3m = c3m i m = c3m s 2m = c3m c 2m hm = c62 m c63m hm = c65 m hm = c66 m h6 m = s 66 m ,
i6m = c6m i m = c6m s 2m = c6m c 2m hm = c6m c63m hm = c64 m hm = c32 m hm = c36 m h6 m = s36m
, :
h: n-
v:
d: ,
.

III.2

3-
.
, () ,
SO(3) = R(3) 33
1.
Ci={e,i} - ,
. O(3) = Ci
SO(3) .
[ = 1.]
SO(3) O(3) () - () .

( ).
: Schnflies
Hermann-Mauguin,
.
33

 (.. ). n n, - n .
m n nm n/m
.
III.3

i) Cn (n ) n
, cn
C n = {c nm m = 0,1,2,K , n 1} = {e, c n , c n2 , K , c nn 1 }
n , n
.
.
ii) Dn (n22 n n2 n )
n- n
2 /n
( Hermann-Mauguin).

n-. Dn ,
2
Dn = c nm ; c 2 , c 2 , c 2 , K , c nn = c 22 = c 2 2 = c 2 2 = K = (c n c 2 ) = e
, .
Cn 2n ( n c nm n c2 ).
cn c 2 c n . n
n+6
n+3
3.
n
2
2
n .

iii) (23), 4
3 3
2 , .

2
T = {e, c3 , c3 , c3, c3, c 2 , c 2 , c 2} , c33 = c3 3 = c3 3 = c3 3 = c 22 = c 2 2 = c 2 2 = (c3 c 2 ) = e
1

12,
.

1,2,3,4

2

34

e : 1234 1234 , c3 : 1234 1423 , c32 : 1234 1342 , c3 : 1234 4213 ,

c3 2 : 1234 3241 ,

c3 : 1234 4132 ,

c3 2 : 1234 2431 ,

c3 : 1234 3124 ,

c3 2 : 1234 2314 , c 2 : 1234 2143 , c 2 : 1234 3412 , c 2 : 1234 4321 .

4 24,
.
. 12
Td ( 4 3m ) 24
1,2,3,4. 24 Td 5
{e}, 3c42 , 4c3 ,4c32 , 3Jc4 ,3Jc43 , {6Jc2 }, J .
Td .
12 2, c3 c2.
4 : {e}, 3c 42 , {4c3 } , 4c32 .

{ } {

} {

{ }

{ }

c3 c32 ,
Td .
,
. .
iv) (432)
.
3 4 ,
. 6 2 ,
.
4 3 , .
24 , 5 : {e},

{3c ,3c }, {3c }, {4c ,4c } {6c }.

4

3
4

2
4

2
3

.. 4
z- (c4z) 3 (c3)
x = y = z. ()
( ) 2 (=24/12),
.
Td.
v) (532) .
, .
6 5 , 10 3 15
2 . 60 . 5
.. c5 c2.
20 ,
12 .

35

III.4 - (-)

, C i = {e, i} . .
1a) Cn Cnh ( n ) S2n ( n ).
1b) Dn Dnh ( n ) Dnd ( n ).
1c) Th, O Oh h.
Th = T C i 24 ,
. 8
Td, 5 .
Oh = O C i 48
. 48 24 (
) 24 - (-) .
10 5 .
Oh 48
, 6
x,y,z 8 x, y, z.
Td Oh. Th Oh.
Td T C i .
.
90 x y z. Th
.
Jc4 ,
b

b
c

Jc4
a

c
d

=J

a
=

a
d

c
b

Td
.
O = T + cT Td = T + JcT .
- .
2a) C2n Cn 2 ( C 2 n = C n + c 2 n C n ),
S2n (n ) Cnh (n ).
2b) Dn Cn ( Dn = C n + c 2 C n ),
Cnv.
2c) D2n Dn ( D2 n = Dn + c 2 n Dn ),
Dnd (n ) Dnh (n ).
2d) Td.
36

2e) ,
.
. .. C i = S 2 , C s = C1h , C 3i = S 6 , C 3h = S 3
. , .. Dn C nv , D2 C 2 h , D6 D3h D3d , Td O
D 4 D 2 d , S 4 C 4 , C 6 C 3 h C 3i , C i C s S 2 .

III.5

r
r r
r
. x + Na = x , a
. t a
r r r
( x = x + a ) .
.
,
,
. ,
.
+
a.
a
o
o
. a/2
.
+
a
+
+
+ .
.

.
o
o
o
180
,
+
+
.
.

,
. .

a
.


.


.

a
(space
group).

37

 .

.

III.6

a, b, c
, .
.

.

a b c (
) ( ).

2 (c2)
(). 2
c ( )
b ( ).
2 c, a b
c, 180 .
a b 180
. a b c = = 90 o .
b 2 , = = 90 o .

2 2
. 2 a b.
( a-) r(x,y,z)
c 2 a [x, y, z ] = [x, y, z ] . ( b-)
c 2 a [x, y, z ] = [ x, y, z ] . c 2 a [x, y, z ] = [ x, y, z ] ,
2 c. 2
2 , .
a, b c . a b c
= = = 90 o .

4 . 4
c, a, b c.
c .
38

 a = b =90, c.
a = b c = = = 90 o .

. 3
4 , ,
4 3 ,
4 .
a = b = c = = = 90 o .

3 , 4 ,
109 28.

6 .
6 3
3 , .
60
. 60 120.
60.
120. a b
. a = b c , = = 90 o , = 120 o .
()
. 3 .
6 , .
120 3
a = b = c = = , 3
[111] a, b c.
III.7 14 Bravais
7
,
,
.
.
( )
. ,
.
.
,
( ),

39


.
:
) (, ), 2
.
) (, F), 3
.
) (, ).
.

,
.
7
:
1) ( a b c , )
,
,
.
P.
2) ( a b c , = = 90 o )

c ,
(a, b, c),
, a, b
c-.
. I=P.

.
P

a, b c-.

P ( ).

a'
b

3) ( a b c , = = = 90 o )
,
.
, .
P, C, I F.
4) ( a = b c , = = = 90 o )

40

 ,
4 c.
C , a b
45 . P. P = C.

. ,
a
b . I = F.
P I.
5) ( a = b = c , = = = 90 o )
,
.
bcc (body-centred cubic).
,
. F
fcc (face-centred cubic).
Bravais P, I F.
6) ( a = b c , = = 90 o , = 120 o )
,
, .
P. .
7) ( a = b = c , = = )
P.

III.8
( )
. ,
,
.
c
a, b, c.

,
b
.


a
. ..


m. ,

41

m2
2
.
=

m
m
n
, ,
m2
2m
4
.
n = 2 = n
n=
= 2+
m
m2
m2
m = ,6,4,3,2 . n = 2,3,4,6,
.

m = m 2 = (m 2) =

III.9
1) ( a b c , )
(e) (i).
.
,
C1 (1) {e, i} C i ( 1 ) .
Ci C1 .
2) ( a b c , = = 90 o )
2 (c2) (h).
2 , C2 (2).
2 , C1h (m) {e,h}.
180 , (i).
2
{e, c 2 , i, h } = C 2 h ,
m
.
3) ( a b c , = = = 90 o )
2 2 2 .
2 . D2 (222) 4 {e, c 2 , c 2 , c 2} .
,
2 , .
C2v (mm2) {e, v [100], v [010], c 2 [001]}
,
. ,
.
D2h (mmm)
{e, c2 , c 2 , c 2 , v , v , v, i} C2v D2.
4) ( a = b c , = = = 90 o )
4 . C4 (4)
S4 ( 4 ) .
42

 .. 2 ,
a b.
(c4 [001])(c 2 [100]) = (c 2 [110]) , 2
[110] ab. D4 (422) 8
e, c 4 , c 42 , c 43 , a , b , d , d .
C4h (4/m) 8 .
ac , c4[001]. c4,

a,b C4v (4mm) 8 .
() 2
c , D4h (4/mmm), 16
.
, C4 (4), D4 (422), C4h (4/m), C4v (4mm), D4h (4/mmm), S4 ( 4 ), D2d
( 4 2m ), S4
2 c-.
D4h (4/mmm).

5) ( a = b = c , = = = 90 o )

48 Oh (m3m), .
(432) 24 , Td ( 4 3m ) 24 , Th
(m3) 24 T (23) 12 .
6) ( a = b c , = = 90 o , = 120 o )
6 7 :
C6 (6) 6 , D6 (622) 12 , C6h (6/m) 12 , C6v (6mm) 12
, D3h ( 6 m2 ) 12 , C3h ( 6 ) 6 , D6h (6/mmm) 24
.
7) ( a = b = c , = = )
3
5 : C3 (3) 3
, C3i S6 ( 3 ) 6 , D3 (32) 6 , C3v (3m) 6
D3d ( 3 m ) 12 . D3d ( 3 m ).

43

IV.
IV.1 -

( ).
.
, yoz . Rot ( , z )
x ,

z .
Rot ( , z ) = Rot ( , x )Rot , Rot ( , x )
,
z

z ,

.

,
- .
(,) .
y
x
(,),
Laplace
1

2
1
Y ( , ) = Y ( , )

+
sin

sin 2 2
sin
= l (l + 1) , l .

m
Yl m ( , ) = N lm Pl (cos )e im (l m l )

( )

Nlm Pl Legendre
m.
, 2l+1 Yl m l
,
. -,
, Yl m ( , )
Yl m l.
)
PR Yl m = D (l ) ( R ) mm Yl m .
m

z (
), :

44

)
PR Yl m ( , ) = Yl m ( , ) = e im Yl m ( , ) .

e il
0
K 0

i ( l 1)
K 0
e
0
(l )
.
D ( ) =
K
K K
K
0
0
K e il

1
sin l +
2
(l ) ( ) = Tr D (l ) ( ) = e il + e i (l 1) + K + e il =
.

sin

1
, sin l + a sin .
2
2
- ,
.

(l ) ( ) ( l 1) ( ) = 2 cos(l ) .
, () ,
cosl.
l 2l+1 .
,

,
2.
2 ,
4 .
: D3, l=2 (e)=5,
c3 , c32 (=120 ) (c3)=sin 300/sin 60= -1. c 2 , c 2 , c 2 (=180 )

(c2)=sin 450/sin 90= 1 D = A1 ,

Y20 = 2 z 2 x 2 y 2 , Y21 = zx, Y21 = yz, Y22 = x 2 y 2 , Y22 = 2 xy .
IV.2
,
. Schrodinger
H = E . ,
TH = ET . T (qi ) = (qi ) , qi
. THT 1T = ET

THT 1 (qi ) = E (qi ) .

45

 H = THT 1 HT = TH (
),
H = E .
.

.
.
.
.


.
,
.
, .


. ,
H G,

G.
(
G) , .
-
.

. .
,
G,
, G .

G ,
-
G, .
.. ,
.
C i = {e, i} ,
. , 1 2.
, .
.
,
, -
.

46

IV.3
H = H o + H 1 , 1
. 1
,
1. , ,
1 G,

D -
D = D (1) + D ( 2 ) + K + D ( n ) ,
1 n .
-
D(i), .
G1
Go Ho, Go
- Go,
.
.
G H
Go Ho ( G = Go G1 Go ),
G ( Go G1 ). G ( )
Go, ,
.
G = G1 Go , - (
) D (a ) Go,
,
G. -
r

( ) (G ) G : D ( a ) (G ) = m ,a ( ) (G ) , m ,a
=1

- G.
m ,a
Go G1.
,
Go = SO(3) .
( ), .
,
l, l=0 s-, l=1 p (3
), l=2 d (5 ), ...
(432) 5 , e, c3, c2z, c2d, c4,
.

47

e
1
1
2
3
3

A1
A2
E
T1
T2

1
sin l +
2
l=0 ()=1 .
(l ) ( ) =

sin
2
c3
c2z
c2d
c4
1
1
1
1
1
1
-1
-1
-1
2
0
0
0
-1
-1
1
0
-1
1
-1

D ( a ) (G ) = A1 ( ).
l=1, (1)(e)=3, (1)(c3)=(1)(120)=sin180/sin60=0, (1)(c2)=(1)(180)=sin

270 /sin90= -1, (1)(c4)=(1)(90)=sin135/sin45=1. D ( a ) (G ) = T1 ,

.
l=2 (2)(e)=5, (2)(c3)=(2)(120)=sin300/sin60= -1, (2)(c2)=(2)(180)=sin

450 /sin90= 1, (2)(c4)=(2)(90)=sin225/sin45= -1.

D ( a ) (G ) = T2 E , .
s, p ,
d ( 5 )
.

IV.4

. ..
( a = b = c a = b c a b c ).
U
G ( U G ).
G
U .
L() G,
- l() U, L( ) = m l ( ) .

( )

D ( A) - G
( ) ( A) ( ) ( A) - U
( ) ( A) ,

( ) ( A) = m , ( ) ( A)

U
1
m , = ( ) ( A) ( )* ( A)
h AU
h U.

48

: D3 C 3 = e, c3 , c32 , C s = {e, c 2 } {e, } .

Cs {e}, {c2} 2, ,
A1
A2

c2
1
-1

e
1
1

{ }

C3 , {e}, {c3 }, c32

. , D(A2)=[D(A)]2
(2)=[()]2 (3)=[()]3=
=(e)=1, () k = e
-

E
E

c3

1
1
1

2
ik
3

c32
1
*

1 i 3
.
2
1, 2 D3 ( 1,1,1
e, c3 , c32 ) C3. D3
=

{ }

(2,-1,-1) {e}, {c3 }, c32 , , E E

C3 m A =

2 1 + 1 (1) + 1 (1)
2 *
= 1
= 0 , mE =
3
3

2*
= 1.
3
Cs {e,c2}, D3 (
e,c2) 1 (1,1), 2 (1,-1) (2,0).
A1 ( D3 ) A1 (C s ) , A2 ( D3 ) A2 (C s ) ( D3 ) A1 + A2 (C s ) .
D3
C3 Cs.
m E =

D3
C3
Cs

A1

A2

E E
A1 A2

: C3.

.
49

 D()
. , D()* D() (
D ( )* = S 1 D ( ) S ) D() .
D()* D(),
D ( ) D ( )* , .
1

( ) ( A 2 ) . 1 , -1

g AG
0 . C3 E , E .
IV.5

.
j1 j2.
j1 j 2 j1 + j 2 .
,
(2j1+1) (2j2+1) .
2j1+1 u m1 (1) -
.
2j2+1 k 2 (2)
.
, (2j1+1)(2j2+1)
u m1 (1) m2 (2) , , ,
. ,
,
- . R
)
PR .
)
)
PR u m1 (1) = Dk(1jm1 1) ( R)u k1 (1), PR u m2 (2) = Dk(2jm2 )2 ( R ) k 2 (2)
k2

k1

)
PR u m1 (1) m2 (2) = Dk(1jm1 )1 ( R )u k1 (1) Dkj22m2 ( R) k2 (2) = Dk(1jm1 )1 ( R)Dkj22m2 ( R )u k1 (1) k 2 (2) .
k2

k1

( D ) ( R) = ( j ) ( R) ( j ) ( R) =
1

j1

e il1

l1 = j1

j2

e il2 = e i (l1 +l2 ) = a J

l 2 = j2

l1 ,l2

J =0

iM

M = J

M j1 + j 2 aJ=0 J>j1+j2.
M = j1 + j 2 a j1 + j2 = 1 . M = j1 + j 2 1

50

 ( j1 1) + j 2 j1 + ( j 2 1) . M = j1 + j 2
j1 + j 2 1 , a j1 + j2 1 = 1 , ... aJ=1.

( j1 )

( R)

( j2 )

j1 + j2

( R) =

iM

J = j1 j2 M = J

( j1 )

( j2 )

j1 + j2

j1 + j2

(J )

( R) .

J = j1 j2

(J )

J = j1 j2

=D ( j1 + j2 ) + D ( j1 + j2 1) + K + D ( j1 j2 )

.
.. D ( 2 ) D (1 / 2 ) = D ( 5 / 2 ) + D (3 / 2 )
D (1) D (1) D (1) = D (1) D ( 2 ) + D (1) + D ( 0 ) = D (3) + D ( 2 ) + D (1) + D ( 2) + D (1) + D ( 0 ) + D (1)

IV.6 Clebsch-Gordan

D ( ) , D ( ) G,
ei( ) ; i = 1,2, K n {e (j ) ; j = 1,2,K n }

L L . Kronecker D ( ) ( A) = {D ( ) ( A) D ( ) ( A)},
{eij( ) } = {ei( ) e (j ) ; i = 1,2, K, n , j = 1,2,K n }
( )

( )

L( ) L( ) .

D ( ) ( ) ( A) = ( ) ( A) ( ) ( A)
( )
G.
D
.
- G :
D ( ) = ( ) D ( ) , ,

. L( ) L( ) = ( ) L( ) ,

Clebsch-Gordan, () .

1
1 r
( ) = ( ) ( A) ( ) ( A) ( )* ( A) = rs ( ) ( K s ) ( ) ( K s ) ( )* ( K s ) .
g AG
g s =1
.. D3 ( C3v)
( A1 A1 ) = ( A1 ) ( A1 ) = (1,1,1) , ( A2 A2 ) = ( A2 ) ( A2 ) = (1,1,1) ,
( ) = ( ) ( ) = (4,1,0) , ( A1 A2 ) = ( A1 ) ( A2 ) = (1,1,1) ,
( A1 ) = ( A1 ) ( ) = (2,1,0) , ( A2 ) = ( A2 ) ( ) = (2,1,0) .
,
1
2
D3 ( C3v).

1
1
2

2
2
1

1+2+

51


,, .
.
D ( )
C , {ei( ) e (j ) }
{el( , s ) ; s = 1,2,K ( )}, ,

s ( ) ( )
ei ek ( )d = d d
el( , s ) =

i ,k i k l

Clebsch-Gordan (CGS)
Wigner. {ei( ) e (j ) } el( , s ) ,

CGS ,
*
s s

= ss ll , (C )1 D ( ) C = (

i ,k i k l
i k l
)

, s ,l i k l

( ) ( )
i
k

i k l

s
= ii kk , m = ( )

, s ,l i k l

s ( , s )
el

s s
d
s i k m j l n = g

D ( A) D

AG

( )
ij

( )
kl

( )*
( A) Dmn
( A)

CGS
.
CGS
. D3 ( C3v)
L = LA1 + LA2 + L , s=1
A1
1 0

= 1
,

i k 1
0
1
2

1 0

= 1
.

i k 2
0
1

A2
0 1

= 1
,

i k 1
1
0

0 1

= 1
,

i k 1
1
0
2

f 1 , f 2 g1 , g 2 () L( ) L( )

1
( f1 g1 + f 2 g 2 ) , e ( A2 ) = 1 ( f1 g 2 f 2 g1 ) ,
e ( A1 ) =
2
2
1
( f1 g 2 + f 2 g1 ) , e2( ) = 1 ( f1 g1 f 2 g 2 ) .
e1( ) =
2
2

52

IV.7
m (Tijk..) ,
, m (AiBjCk).
m m
L( m ) = R3(1) R3( 2 ) R3(3) K R3( m ) . D L=R3
D ( m ) = D D K D L(m).

SO(3).
- .
)
)
L=R3 ei = Dki ek ,
.. 2 Tij =

k ,l =1

ik

D jl Tkl

1 ( ) Ti = Dik Tk .
k =1

,
,
.
m ,
D ( m ) = D D K D . -
,
1.
3m .
1,
1 ,
1
1
N = ( m ) ( A) *A1 ( A) = ( m ) ( A) .
g AG
g AG

, ,
.. .
4
ij ij
( Hooke)
ij = C ijkl kl ,

Cijkl .
ij=ji ij=ji, 81 Cijkl 36.
Cijkl=Cklij,
21.
2 ij ij
Tij=AiBj. D(l=1)
l=1 (
l=1). 2

53

 Kronecker D (1) D (1) ,

D ( 0 ) + D (1) + D ( 2 ) .
1-
T11 + T22 + T33 , 33 Tij, ,
r r
A B ,
2 . D(1) 3-
(T23 T32 ), (T31 T13 ), (T12 T21 ) ,
r r
A B ,
, .
5-
(T11 + T22 2T33 ), (T11 T22 ), (T23 + T32 ), (T13 + T31 ), (T12 + T21 ) .
Tij , , 1-
5- .
ij ij D (1) D (1) sym = D ( 0 ) + D ( 2 ) .

Cijkl Kronecker
, (ij) (kl) .
Cijkl ,
D ( 2) + D ( 0 ) D ( 2 ) + D ( 0 ) sym = D ( 4 ) + 2 D ( 2 ) + 2 D ( 0 ) .

] [

4
9+25+21=21
.
- ,
1
sin l +
2 .
(l ) ( ) =
sin

l=0 ( ) = 1 .
l=1 (1) ( ) = 1 + 2 cos ( - (1) ( ) = ( ) )
l=2 ( 2 ) ( ) = 1 + 2 cos + 4 cos 2
(0)

l=3 (3) ( ) = 1 4 cos + 4 cos 2 + 8 cos 3

,

scalar=1.
l=1,
(1) ( ) = 1 + 2 cos .
2 :
( 2) ( ) = (1 + 2 cos )2 = 1 + 4 cos 2 + 4 cos = ( 2) ( ) + (1) ( ) + ( 0 ) ( ) .
( 2)
3sym
( ) + ( 0 ) ( ) .
3 ( ) =

2
1 (1)
1
3sym
( ) + (1) (2 ) .
3 ( ) =
2
2

54

1
[ ( A)]2 + 1 ( A 2 ) .
2
2
D4
(422). 5

sym ( A) =

D4

A1
A2
B1
B2
E

1
1
1
1
2

c 42
1
1
1
1
-2

c 4 , c 43
1
1
-1
-1
0

c2 x , c2 y

c 2 x , c 2 y

1
-1
1
-1
0

1
-1
-1
1
0

D(l=4), ,
( 4 ) (e) = 9 , ( 4) (c 2 ) = ( 4 ) (180 o ) = 1 , ( 4 ) (c 4 ) = ( 4 ) (90 o ) = 1 .
D ( 4 ) = 2 A1 + A2 + B1 + B2 + 2 E .
D(l=2) ( 2 ) (e) = 5 , ( 2) (c 2 ) = 1 , ( 2 ) (c 4 ) = 1 .
D ( 2 ) = A1 + B1 + B2 + E . D ( 0 ) = A1 .
D ( 4 ) + 2 D ( 2 ) + 2 D ( 0 ) = 6 A1 + A2 + 3B1 + 3B2 + 4 E .
1 6 .
Cijkl D ( 4 ) + 2 D ( 2 ) + 2 D ( 0 )
6 .
,
.
x y C11=C22 Ci4=Ci5,
xx 1 , yy 2 , zz 3 , xy 6 , xz 5 yz 4 .
180, x x , y y , z z ,
xxxz, yyyz, xxyz, yyxz, zzxz, zzyz , C15=C14=C24=C25=C35=0.
45 z, x y , y x , z z ,
C16=C26=C36=C46=C56=0. - C11, C12, C13,
C33, C44, C66.
,

C11

C12
C
= 13
0
0

C12

C13

C11
C13

C13
C 33

0
0

0
0

C 44

C 44

0
0
.
0
0
C 66

55

IV.8 Wigner-Eckart

(m)

m
= D (1) D (1) K D (1) .
j1 + j 2

D ( j1 ) D ( j2 ) =

( j)

. D (1) D (1) = D ( 2 ) + D (1) + D ( 0 ) .

j = j1 j 2

D D D = D ( 2 ) + D (1) + D ( 0 ) D (1) = D ( 0 ) + 3D (1) + 2 D ( 2) + D ( 3) , .

-
. .. m=2, Tij
, 5- .
.

() -
.
, ( i( ) )
- (), (d)
d
)
, , A i( ) = Dki( ) ( A) k( ) .
(1)

(1)

(1)

k =1

m-, d
(.. 5 2 Tij). ,
) ( ) d ( )
AT j = Dlj ( A)Tl ( )
l =1

T j( ) i( )
d
)
AT j( ) i( ) =
k =1

D
l =1

( )
lj

( A) Dki( ) ( A)Tl ( ) k( ) .

T j( ) i( )
Dlj( ) ( A) Dki( ) ( A) .
j( )i( ) , D ( ) D ( ) .
-
Clebsch-Gordan (/).
(j ) i( ) , .

*

s
( ) , s=1, 2, 3, ... (/).
=

l , s
, s ,l j i l

l( )*
( )
j

( )
i

56

C ( ) , C ( ) , s ,
=
d
r

s
, s ,l j i l

l. j( ) i( ) ,
( )*
l

( )
j

( )
i

( )
l

( )
j

T j( )

s
C ( ) , C ( )

=
s

s
s
j il
() (s), i,j,l.
( )
i

Wigner-Eckart C s( )
. D()
D ( ) D ( ) , .
-
- .
-
, (/) 0 1, s

(j ) i( ) . D3 ( C3v)

A1 T j( ) A1 = A2 T j( ) A1 = 0 . 1
2
A2 T j( ) A2 = A2 T1( A1 ) A1 = , l T1( A1 ) A1 = 0 , .

1
1
2

2
2
1

1+2+

,
. l=1, (1) (e) = 3 ,
(1) (c3 ) = (1) (120 o ) = 0 , (1) (c 2 ) = (1) (180 o ) = 1 . (
) D=A1+.
(x,y) ,
z 1.
x, y
A1 A1 , A1 A2 A2 A2 .
z A1 A2 , A1
A2 . Clebsch-Gordan
,
*

, l T

()
j

A1
A2
1 0
C 0 1
()

= C

,
A1 = C
l
T
A
C
,

=
=
,
2
j
0 1
j 1 l
j 1 l
1
0

2
2

,1T

()
j

0 1
1 0
()

= C
= C

,
,
T
i
C
, i = C

=
,
2
,
j
1 0

j i1

2
2 0 1

j i2

( A1 )
1

A1 T

A1 A1 A1
A A A
= C A1 , A2 T1( A1 ) A2 = C A2 1 2 2 = C A2 , .
A1 = C
1 1 1
1 1 1

A1

57

 A1 ,
x -.
.

IV.9 ( )
()
, ( ) .
,
3 . 3
, 3 ,
, 3-6 .
,
3-3 ,
.

rr
r
Ae i [k r ( k ) t ] .
,
.
r
k Brillouin.
r
a, L, k
2
L
k n =
n , n=1,2,3,nmax nmax = .
L
a
Brillouin, ,
(
).

.
,
. 12
D3h ( 6m2 ). 6

1
2
1
2
1
2

mz

c3

1
1
1
1
2
2

1
1
-1
-1
2
-2

1
1
1
1
-1
-1

6z
1
1
-1
-1
-1
1

c2

mx

1
-1
1
-1
0
0

1
-1
-1
1
0
0

z2,x2+y2
Iz
z
x,y
Ix,Iy

x2-y2,xy
xz,yz

1
i2 qi2 ,
2 i
i qi .
.
V =

58

 , q i2
. qi
( 1). 1=2=3,
V q12 + q 22 + q32 .
qi .
, -.

;
. , xa, ya, za, a=1,2,3
( ).
c 2 y

x1 = x1 , y1 = y1 , z1 = z1 ,
x 2 = x 3 , y 2 = y 3 , z2 = z 3 ,
x3 = x 2 , y 3 = y 2 , z3 = z 2 ,

x1
y1
z1
x 2
y 2
z2
x3
y 3
z3

x1
-1

y1

z1

x2

y2

z2

x3

y3

z3

1
-1
-1
1
-1
-1
1
-1

,
.
1.
.
(1+2cos)
- .

(e) = 9, (m z ) = 3, (c3 ) = 0, ( 6 z ) = 0, (c 2 ) = 1, (m) = 1 .
6 m2 , (
) - .
Dtot = A1 + A2 + B2 + 2 E1 + E 2 .

, Dtrans = B2 + E1 .
59

 Ix, Iy, Iz Drot = A2 + E 2 .

Dvib = A1 + E1 .
1 ,
.
( ) .

.

1-

1-

IV.10 (IR) Raman

(IR) Raman.
.
.
Wigner-Eckart 1 .
Raman, - ,
2 () .
T ,
T .

-

D ( ) = D ( ) D ( ) . D() D ( ) .
1 D ( ) D ( ) ,
.
: ,
104.5.
C2v.
C2v (2mm)
x2, y2,z2
xy
xz
yz

z
Iz
Iy, x
Ix , y

A1
A2
B1
B2

c2

1
1
1
1

1
1
-1
-1

1
-1
-1
1

1
-1
1
-1

60

) IR. 1

(e) = 3, (c 2 ) = 1, ( v ) = 1, ( v ) = 1 ,

Ti = A1 + B1 + B2 .
- .

, .. Ti A1 = A1 + B1 + B2 , Ti B2 = A1 + A2 + B2 , .
2

Dtot = 3 A1 + A2 + 2 B1 + 3B2 .

Dtrans = A1 + B1 + B2 ( - ).
Drot = A2 + B1 + B2 . Dvib = 2 A1 + B2 .
D ( )
,
1 2.
) Raman. 2 .
1
1
2
( ) sym (a ) = [ (a )] + (a 2 ) .
2
2
(e) = 6, (c 2 ) = 2, ( v ) = 2, ( v ) = 2
Tijsym = 3 A1 + A2 + B1 + B2 . ,
Tijsym A1 = 3 A1 + A2 + B1 + B2 Tijsym B2 = A1 + A2 + B1 + 3B2 .

1 2.

IV.11 (crystal field splitting)

[ (3)]
,
G. V
.
V ,
.

.
Cr () +2.
6 3d6, +2
3d4 . ,
(S=s1+s2+..)
(L=l1+l2+) .
Hund, ,
S=2. ,
J=L+S.
5D 5 .

61

 (432)
Oh (m3m). D ( 2)
(e) = 5, (c3 ) = 1, (c 2 ) = 1, (c 2 d ) = 1, (c 4 ) = 1 , 5 (
10 Oh). -
D ( 2 ) = E g + T2 g , Oh g (
). 5 2
3.
D4h,
E g A1g + B1g , 3
T2 g E g + B2 g .
( ) D2h
(
) B2 g B1g , E g B2 g + B3 g ( ), B1g Ag .

(2S+1=5). A
B1g, 5 2 Ag + B1g + B2 g + B3 g .
D ( 2) 2 Ag + B1g + B2 g + B3 g , B1g
Ag Ag D ( 2) = D ( 2 ) = 2 Ag + B1g + B2 g + B3 g .

.
B2g
Eg
35, T2g
B3g
55, 5D

B2g

B1g

15, A1g
25, Eg
15, B1g

2Ag+B1g+
B2g+B3g

Eg T2g,
( ).
l=2 5 nlm (r , , ) = Rnl (r )Yl m ( , )
( ).
1
E
E
( n 22 + n 22 ) Eg
1 g = Rn 2Y20 = n 20 2 g = Rn 2Y22c =
2

62

( n 22 n 22 ) , 2T

2g

( n 21 + n 21 ) , 3T

( n 21 + n 21 ) T2g
2
2
2
V
Oh (m3m),
. 4
,

5
V (r , , ) = AY00 + Br 4 Y40 +
Y44 + Y44 ( V = blmYl m )
14
l ,m

A
3B
2B 4
A
E
E
E
T
E g = 1 g V 1 g =
r
r 4 , E 2g =
r +
r ,
2
7
2
7
T2 g

2g

r n = Rn*2 (r ) Rn 2 (r )dr .
V <0 E
.

T2 g

<E

Eg

63


0 1
0 1
, =

.1 u =
1 0
1 0
. . ;

0 1 0 1 1 0
0 1

=
, u 3 =
,
u 2 =

1
0

1
0
0

1
1
0

0
1
0
1
1
0
0
1
0
1
1
0

=
uv

=
, vu =
u 4 = e = v 2 , uv =

1
0
1
0
0
1
1
0
1
0
0
1

0
1

. 22 1.
u 2 v =
1
0

.
8 {e, u, u2, u3, v, uv, vu, u2v} .
.2 C5, 5
.

C5 5 5 -
, .
c5, c5k k k=5, c55 = e , 5=1.
e 2in / 5 , n = 0, 1, 2, 3 4.
( 5=1, .. 44=8=3, 444=12=2, ):
e c5 c52 c53 c54
1 1 1 1
1
1
2
2
2 1

2
4
3
2
3 1

2
4
4 1

3
3
4
5 1

2
.3 2p3p.
( ). ,
. 2p, ;

p L=1, D(L) (432)

sin 3 / 2
=
=3 (=0), 0 (=120), -1 (=180), 1 (=90). 5
sin / 2
3, 0, -1, -1 1. D(L)D(L)
5 , 9, 0, 1, 1, 1.
D(L)D(L)=1++1+2. 1- (
), 2- ( ) 3- ( ).
p, 1.
.

64

.4 p (432)
Brillouin ( ) (111);

Brillouin, . p
sin 3 / 2
=3
=
sin / 2
(=0), 0 (=120), -1 (=180), 1 (=90), (432).
- 1 .
(111) C3v,
(111).
C3v,
e
2c3 3v
C3v (3m)
1
1
1
A1
1
1
-1
A2
2
-1 0
E
(e)=(=0)=3, (c3)=(=120)=0 (v)=1
( xx, y-y, zz).
C3v, 1+. 1 () 1+ ().
.5
( ) 104.5 C2v 4
.
, .

uix, uiy, uiz (i=1,2,3) , 9-

.
,
. : (e)=9, (c2)=-1 (
x-x, y-y, zz), (v)=3 (
H2O x-x, yy, zz), (v)=1 (
xx, y-y, zz).
(1)=3, (2)=1, (1)=2 (2)=3.
Dtot(H2O)=3A1A22B13B2.
C2v (2mm)
x2, y2,z2
xy
xz
yz

z
Iz
Iy, x
Ix , y

A1
A2
B1
B2

c2

1
1
1
1

1
1
-1
-1

1
-1
-1
1

1
-1
1
-1

( Ix,Iy,Iz) 212
( x,y,z) 112.
2A12.
.6

f 5 ( x) =

f1 ( x) = x ,

f 2 ( x) = 1 x ,

f 3( x) =

x
,
1 x

f 4 ( x) =

1
,
x

1
x 1
, f 6 ( x) =
.
1 x
x
65

 () f 5 f 6 = f 6 f 5 = f i 2 = f 1 ( i=1,2,3,4)
() S3.

f i ( f 1 ( x)) = f 1 ( f i ( x)) = f i ( x) fi(x). f1 ( x) e
1
1
f5 1 1 x
1
1
.
.

f 5 ( f 6 ( x)) =
=
= x = f 1 ( x) = f 6 ( f 5 ( x)) =
=
1
x 1
1 f 6 ( x)
f5
1
1 x
x
f 5 f 6 = f 6 f 5 = f1 , f1 ( x) .
f i 2 ( x) = f i ( f i ( x)) = x = f1 ( x) .
S3, 6
{e,(12),(23),(31),(123),(321)}. f1 e ,
f 2 , f 3 , f 4 (12), (23), (31) f 5 , f 6 (123), (321) .
.7 S3.
- .

3!=6 {e,(12),(23),(31),(123),(321)}.
.. (12)(23)=(12, 2 1, 3 3)(23, 32, 11)=(12, 23, 31)=(123),
.

E
(12)
(23)
(31)
(123)
(321)

e
e
(12)
(23)
(31)
(123)
(321)

(12)
(12)
E
(321)
(123)
(31)
(23)

(23)
(23)
(123)
e
(321)
(12)
(31)

(31)
(31)
(321)
(123)
e
(23)
(12)

(123)
(123)
(23)
(31)
(12)
(321)
e

(321)
(321)
(31)
(12)
(23)
E
(123)

{e}, {(12),(23),(31)} {(123),(321)}.

d12 + d 22 + d 32 = 6 d1 = d 2 = 1, d 3 = 2 .
D3 (23) C3v (3m).
,
1 0
1 0
1 1
3

, D(23) = D(c 2 ) =
, D(12) = D(c 2 ) =
D(e) =
2 3 1
0 1
0 1
1 1
3
1 1
3
1 1 3
, D(123) = D(c3 ) =
, D(321) = D(c32 ) =

D(31) = D(c 2 ) =
2 3 1
2 3 1
2 3
1

66

.8 x,y
x3=y2=(xy)2=e. ;

2
e, x, x , y 4 . xy x2y.
6 , .. (xy)(x2y) = xyx2y = (xy)-1x2y =
y-1x-1x2y = y-1xy = yxy = y(xy)-1= yy-1x-1=x-1=x2. (x2y)2=x2yx2y=xxyx2y=xy-1x-1x2y=(xy)(xy)=e.
{e,x,x2}, {e,y}, {e,xy}, {e,x2y}.
.9
x3=y2=(xy)3=e;

x 3 y 2 .
(23) 12 .
.10 xe 2, .

x,y. xy
2, (xy)2=e=x2=y2.
xyxy=e=x2y2=xxyy xy=yx.
.11 a,b a2=bk=(ab)2=e (k3),
0
0 1
,
y =
x =
1
1 0
0
2i
= exp
.
k

k 0
0
0 1 0 1 1 0
2
k
2
=e,
,

=
= e ,

x =
y =
y =
2
k
1
0
1
0
0
1
0

0
0 1 0 1
0 1 0 0 1
2

xy =
=
1
(xy ) = 0 0 = e .
1
0
0

.12 D4 , .

g h ( 4 2)
D4 = e, g , g 2 , g 3 , h, gh, g 2 h, g 3 h , g4=h2=(gh)2=e.
{e}, {g2}, {g,g3}, {h,g2h}, {gh,g3h}.
2 : {e,h}, {e,gh}, {e,g2}, {e,g2h}, {e,g3h}.
4: {e,g,g2,g3}, {e,g2,gh,g3h}, {e,g2,h,g2h}.

67

.13 p Oh (m3m)
Brillouin, kx;
( (101)) ( (111)).

Bloch
r
r rr
r
kr (r ) = u kr (r )e ik r , u kr (r ) .
r
h2 2
Schrdinger
+ V (r ) = E
2m

2
2
2
r
h
h r r r
h k r r
r
u k (r ) . k = 0 ( Brillouin)

2 u kr + V (r ) + k p u kr (r ) = E
2m
m
2m

r
r
r
V (r ) . k 0 k .
kx ( ) C4v.
r
k = 0 x,y,z,
- T1u Oh (m3m). T1u
(e) = 3, (c 2 x ) = 1, (c 4 x ) = 1, ( v ) = 1, ( d ) = 1
C4v. T1u A1 + E
C4v.
(101), C2v
(2mm). 4 - 4
({e}, {c2 y }, {m x }, {m y }) . T1u

(e) = 3, (c 2 y ) = 1, (m x ) = 1, (m z ) = 1 T1u A1 + B1 + B2 .
(111) C3v 3 -
1+2+.
(e) = 3, (c3 ) = 0, (m) = 1 . T1u A1 + E .

.14 f (l=3) ,
O (432) D4
(422). .

f (l=3)

l ( ) = sin l + sin , (432)

2
2

5 : (e) = 7, (c3 ) = 1, (c 42 ) = 1, (c 2 ) = 1, (c 4 ) = 1 .
A2 T1 T2
- :
2 (e) = 1, (c3 ) = 1, (c 42 ) = 1, (c 2 ) = 1, (c 4 ) = 1

1 (e) = 3, (c3 ) = 0, (c 42 ) = 1, (c 2 ) = 1, (c 4 ) = 1
2 (e) = 3, (c3 ) = 0, (c 42 ) = 1, (c 2 ) = 1, (c 4 ) = 1
7 (432)
( ).

68

 D4 (422), 2
(432) (e) = 1, (c 42z ) = 1, (c 4 z ) = 1, (c 2 x ) = 1, (c 2 d ) = 1
D4. 1 - .
1 D4
(e) = 3, (c 42z ) = 1, (c 4 z ) = 1, (c 2 x ) = 1, (c 2 d ) = 1 ,
2.
. 2
(e) = 3, (c 42z ) = 1, (c 4 z ) = 1, (c 2 x ) = 1, (c 2 d ) = 1 2.
.15 - (432)
H = Ax 2 + By 2 ( A + B ) z 2 ;
( ), ;

:
A B 2
A+ B 2
2
2
H = Ax 2 + By 2 ( A + B ) z 2 =
x y
3z r
2
2
(432)
(x 2 y 2 , 3z 2 r 2 )
. i f

f H i

D H D i .
- 1, 2, , 1, 2.
:
(E A1 ) = 2,1,2,0,0 E A1 = E
(E A2 ) = 2,1,2,0,0 E A2 = E
(E E ) = 4,1,2,0,0 E E = A1 A2 E
(E T1 ) = 6,0,2,0,0 E T1 = T1 + T2
(E T2 ) = 6,0,2,0,0 E T2 = T1 + T2
:
A1 E , A2 E , E E , T1 T1 , T2 T2 , T1 T2
.16 S3.
33.
.

, f A (r ) = f (r rA ) ,
f B (r ) = f (r rB ) f C (r ) = f (r rC ) ,
. , 1,2,3
. e: f A f A , f B f B , f C f C
1 0 0
0 1 0 . (12): f A f B , f B f A , f C f C
0 0 1

69

0
1
0
1
0
0

1 0
0 0 . (23): f A f A , f B f C , f C
0 1
0 0
0 0

0 1 . (31): f A f C , f B f B , f C f A 0 1
1 0
1 0

f B
1
0 . (123):
0

0 1 0
f B , f B f C , f C f A 0 0 1 . (321): f A f C , f B f A , f C f B
1 0 0
1
0 . (e)=3, ((12),(23),(31))=1
0

fA

0 0
1 0

0 1
((123),(321))=0 A1 E .

.17 S4.
- .

S4 4!=24 {e, (12), (13), (14), (23), (24), (34), (12)(34), (13)(24), (14)(23),
(123), (124), (132), (134), (142), (143), (234), (243), (1234), (1243), (1324), (1423), (1432)}.
5 {e}, {(12), (13), (14), (23), (24), (34)}, {(12)(34), (13)(24), (14)(23)}, {(123),
(124), (132), (134), (142), (143), (234), (243)}, {(1234), (1243), (1324), (1423), (1432)}.
12 {e, (12)(34), (13)(24),
(14)(23), (123), (124), (132), (134), (142), (143), (234), (243)}, .
4 V4={e, (12)(34), (13)(24), (14)(23)}
Klein.
d12 + d 22 + d 32 + d 42 + d 52 = 24 d1 = d 2 = 1, d 3 = 2, d 4 = d 5 = 3 . ,
(1)=(1,1,1,1,1).

S 4 = {T , (23)T } S 4 / T C 2 ().
,
(2)=(1,1,-1,-1,1). V4
, S 4 / V4 D3 D3 .
()=(2,2,0,0,-1).
.
.18 . ,
- .

2
12 e, c3 , c3 , c3 , c3 2 , c3, c3 2 , c3, c3 2 , c 2 , c 2 , c 2 , 4

({e}, {c , c , c}, {4c }, {4c }) .

d12 + d 22 + d 32 + d 42 = 12 d1 = d 2 = d 3 = 1, d 4 = 3 .
N = {{e}, {c 2 , c 2 , c 2}}
T = N , c3 N , c32 N . C 3 = e, c3 , c32
2

2
3

70

 , 3 = 1 .
T / N C 3
1

c2

c3

1
1
1
3

1
1
1
a

2
b

c32
1
2

b=c=0 a=-1.
.19 3.

e, a, b. .

. a.e=a. a.a=e a.b=b. a=e, . a.a=b
a.b=e. e.a=a a.a=b, a.b=e. b.b=a.

e a b
e
e a b
a
a b e
b b e a
.20 - D4
.

D4 {e, c 4 , c 42 , c 43 , c 2 x , c 2 y , c 2 x , c 2 y }

({e}, {c }{
, c , c }, {c
2
4

3
4

2x

, c 2 y }{
, c 2 x , c 2 y } . 5 -

d12 + d 22 + d 32 + d 42 + d 52 = 8 d1 = d 2 = d 3 = d 4 = 1, d 5 = 2 .
,
, .
, c 4 , c 43 }} D4 = {N , c 2 x N } . {e,c2x}
N = {{e}, {c 42 }{
(1,1) (1,-1).
{(e), (c 42 ), (c 4 , c 43 )} = 1 c2xN {(c 2 x , c 2 y ), (c 2 x , c 2 y )} = 1

{(e), (c 42 ), (c 4 , c 43 )} = 1 {(c 2 x , c 2 y ), (c 2 x , c 2 y )} = 1 .

N = (e), (c 42 ), (c 2 x , c 2 y ) D4 = {N , c 2 x N }

{(e), (c 42 ), (c 2 x , c 2 y )} = 1

N = (e), (c 42 ), (c 2 x , c 2 y )

{(c 4 , c 43 ), (c 2 x , c 2 y )} = 1 .

D4 = {N , c 2 x N }

{(e), (c 42 ), (c 2 x , c 2 y )} = 1 {(c 4 , c 43 ), (c 2 x , c 2 y )} = 1 .
.
.
a = -2 b = c = d = 0.

71

D4

A1
A2
B1
B2
E

1
1
1
1
2

c 42
1
1
1
1
a

c 4 , c 43
1
1
-1
-1
b

c2 x , c2 y

c 2 x , c 2 y

1
-1
1
-1
c

1
-1
-1
1
d

.21 e x e y (.. D3).

e1 = U ( )e1 = e1 cos + e2 sin
e2 = U ( )e2 = e1 sin + e2 cos
( )
1
(e1 + ie2 ) e = 1 (e1 ie2 )
e + =
2
2
1
[(e1 cos + e2 sin ) + i( e1 sin + e2 cos )] =
e+ = U ( )e+ = U ( )e1 + iU ( )e2 =
2
1
=
e1e i + ie2 e i = e i e+
2
e = U ( )e = e i e . e+ e

() .

.22 6- 2
f ( x, y ) = ax 2 + bxy + cy 2 + dx + ey + h , a, b, . x,y
D3, 6-
D3.

( x,y) x,y
x2, y2, xy, x, y 1.

- D3.
(x,y) (x2-y2, xy)
x2+y2 1
A1,
a+c 2
ac 2
2
2
f ( x, y ) =
x + y + bxy +
x y + dx + ey + h
2
2
2A1+2.

.23 (x1, y1) (x2, y2) D3.

(x1x2, x1y2, x2y1, y1y2).
4- (x, y). Clebsch-Gordan.

72


(x,y)
(x1x2, x1y2, y1x2, y1y2).
1

0
D ( e) =
0

1
3 3
3
3
3

3
1
3
1 3 1
3
, D(c 2 ) = 4
1
3
1 3
3
3

3
3
3 3
1
3
1 3 3
1
0 0 0
3
3

1 0 0
1
1
1 3
1 3
3 3
, D(c32 ) =
, D (c 3 ) =

0 1 0
4 3 3
4 3 3
1
3

3
0 0 1
3
3
1
3
3

1
0 0 0

1 0 0
1 3
, D(c 2 ) =
0 1 0
4 3

3
0 0 1

1 0
D (c 2 ) =
4 0

3
,
3
1

1
3

(e) = 4, (c 2 ) = 0, (c3 ) = 1 D (22 ) = A1 + A2 + E .

, .

x1 x 2 = [ x1 cos + y1 sin ] [ x 2 cos + y 2 sin ] = x1 x 2 cos 2 + y1 y 2 sin 2 + sin cos ( x1 y 2 + x 2 y1
y1 y 2 = x1 x 2 sin 2 + y1 y 2 cos 2 sin cos ( x1 y 2 + x 2 y1 ) .

x1 x 2 + y1 y 2 = x1 x 2 + y1 y 2

x1 x 2 + y1 y 2

x1 y 2 y1 x 2 , x1 x 2 y1 y 2
x1 y 2 + y1 x 2 .
e A1 =

1
2

[x x

+ y1 y 2 ], e A2 =

[x x

y1 y 2 ], e2 =

1 2

1
2

[x y
1

y1 x 2 ] ,

[ x1 y 2 + y1 x2 ]
2
2
Clebsch-Gordan
A1
1 1 0 A2
1 0 1

i k 1 = 2 0 1 , i k 1 = 2 1 0

e1 =

1 2

3
1

3
3

1 0 1
1 1 0

,
=

i k1
2 1 0 i k 1
2 0 1

.24
i
0 1
0
, B =
. .
A =
0
1 0
i

0 1 0 1 1 0 0 i 0 i

=
= B 2 = e ,
=

A 2 =
1 0 1 0 0 1 i 0 i 0
)
)
A 2 = B 2 = C = e . C 2 = e .
AD = B = B, DB = A = A ,

73

i 0
= D, BA = D, D 2 = C . 8
AB =
0 i
) ) )
)
)
e, A, B, C , D, A, B, D , A 3 = CA = A = A, BAB 1 = ABB 1 = A = A , .
)
)
)
C 1 = C , AA = BB = DD = e . 5,
)
)
)
{e}, {C}, A, A , B, B , D, D .
AC = A = CA

{ } { }{

.25 .
C4v (4mm) ,
( C2v). ,
, -
C4v.

- 4 , .
, .

C4v C2v : A1 A1 , A2 A2 , B1 A1 , B2 A2 .
( ) , ,
-
C2v. E B1 + B2 .

C4v
(4mm)
A1
A2
B1
B2
E

c2z

1
1
1
1
2

1
1
1
1
-2

2c4

x , y

x , y

1
-1
1
-1
0

1
-1
-1
1
0

C2v
(2mm)
A1
A2
B1
B2

1
1
-1
-1
0

c2

1
1
1
1

1
1
-1
-1

1
-1
1
-1

1
-1
-1
1

.26 C4v (4mm)

: () z. () x2. ,
, .

z, :

e{z} = z , [c 2 z , c 4 z ]{z} = z , x , y , x , y {z} = z .

( 1) 1 .
x2 :
e{x 2 } = x 2 , [c 2 z ]{x 2 } = x 2 , [c 4 z ]{x 2 } = y 2 , [ x ]{x 2 } = x 2 , y {x 2 } = x 2 , [ x ]{x 2 } = y 2 , y {x 2 } = y 2

[ ]

[ ]

x y .
f1 = x 2 + y 2 f 2 = x 2 y 2 . f1
e{ f 2 } = f 2 , [c 2 z ]{ f 2 } = f 2 , [c 4 z ]{ f 2 } = f 2 , x , y { f 2 } = f 2 , x , y { f 2 } = f 2 .

1.

74

C4v
(4mm)
A1
A2
B1
B2
E

c2z

1
1
1
1
2

1
1
1
1
-2

2c4

x , y

x , y

1
-1
1
-1
0

1
-1
-1
1
0

1
1
-1
-1
0

.27 4 ; .

4 {e, A, B, C} .
A2=e A2=B ( C ).
A2=B, A[e, A, B, C ] = [A, B, AB, AC ] . AB=e, AC=e.

AB=e AC=C . AC=e. AB = C A 3 = C A 4 = AC = e .

{e, A, B = A 2 , C = A 3 }. -
( ).
, 2 3, 4=1 (4=e).
2i
k = exp
k k=0,1,2,3.
4

e
1
1
2
3

1
1
1
1

c4
1
i
-i
-1

c 42
1
-1
-1
1

c 43
1
-i
i
-1

A2=e, AB=C (
) AC=B. B2=A BC=e B4=e, .
B2=e, AB=BA, AC=CA, CB=BC .
( )
e
1
1
2
3

1
1
1
1

c4
1
1
-1
-1

c 42
1
-1
1
-1

c 43
1
-1
-1
1

2 k f ( x)
, k
A.28

0 1

f(x) x.
.
;

75

 2k

p ( x) 2 l

1 0

f ( x ) 2 k +l
=
1 0

2 k f ( x) + p( x)
,

1 0
,
. k=0 p(x)=0 e =
0 1
eA=Ae=A.
2 k f ( x)
,
,

0 1

k
k
k
2
p ( x) 2
f ( x ) 1 2 f ( x ) + p ( x ) 1 0

=
=
= e .
0 1 0
0

0
1
1
1

2kf(x)=-p(x) f(x) f ( x) = 2 k p ( x) .
. ,
.
2k
AB =
0

p ( x) 2 l

1 0

f ( x) 2 k +l
=
1 0

2 k +l
2 k f ( x) + p( x)
BA =

0
1

2 l p ( x) + f ( x)
.

A.29 D3
zf(r)x2, z 3 f(r)

r = x 2 + y 2 + z 2 . ,
-
.

x2 y2, xy, z
z. H f(r) D3.
(zx2,zy2,zxy).
c2 (zx2,zy2,zxy) (-zx2,-zy2,zxy)
(c2)= -1. c3
[z(x2+y2),z(x2-y2), zxy] .
z(x2+y2) z(x2+y2) tr=1, [z(x2-y2), zxy] tr(E) = -1
. (c3)=0. (3,0,-1),
E A2 . 2
z(x2+y2), [z(x2-y2), zxy].
A.30
D3.
IR ( )
Raman ( 2 );

uix,y,z , (e) = 9, (c3) = 0,

. c2
(c2) =( u2x - u2x, u2y u2y, u2z - u2z)= -1.
(9,0,-1) -
D = A1 2 A2 + 3E . x,y,z
Ix,Iy,Iz E A2 . D int = A1 E .

76

 IR x,y,z
- E A2 .
(3,0,-1).
, ( A2 E ) A1 = A2 E ,
A2 E = E , E E = A1 + A2 + E

(4,1,0) - 1, 2 .
IR 1 , 1.
Raman
2 .
(33 )
sym
= 4 cos 2 + 2 cos . (6,0,2),
- Rij = 2 A1 2 E .

(1,)

Rij A1 = 2 A1 2 E
(
11

1),
A1 E = E ( )

E E = A1 + A2 + E

( 1, ).

Raman.
A.31 Ni
D4, .
Ni d (yz, zx, xy, x2-y2, 2z2-x2-y2) .
D4, 5
. d Ni ;
d
- D4.

d l=2.
5-
.
(e): , (e)=5
(c42): (yz, zx, xy, x2-y2, 2z2-x2-y2) (-yz, -zx, xy, x2-y2, 2z2-x2-y2) (c42)= 1
(c4): (yz, zx, xy, x2-y2, 2z2-x2-y2) (-xz, yz, -xy, y2-x2, 2z2-x2-y2) (c4)= -1
(c2d): (yz, zx, xy, x2-y2, 2z2-x2-y2) (-xz, -yz, xy, y2-x2, 2z2-x2-y2) (c2d)= 1
(c2x): (yz, zx, xy, x2-y2, 2z2-x2-y2) (yz, -xz, -xy, x2-y2, 2z2-x2-y2) (c2x)= 1
D (5,1,-1,1,1) D = A1 B1 B2 E .
-
1: (2z2-x2-y2), B1: (x2-y2), B2: (xy), E: (yz, zx).
A.32 x, f1 ( x) = x, f 2 ( x) = x, f 3 ( x) = 1 / x,
f 4 ( x) = 1 / x , f i f j ( x) f i f j ( x) . ()

. () ; () 4 ;

f1 f j ( x) f 1 f j ( x) = f j ( x) = f j f1 ( x)
fj(x). f1(x) .
4

77

 fj(x). .. f 2 f 3 ( x) f 2 [ f 3 ( x)] = f 2 (1 / x) = 1 / x = f 4 ( x) .
f 3 f 2 ( x) f 3 [ f 2 ( x)] = f 3 ( x) = 1 / x = f 4 ( x) . f 2 f 4 ( x) f 2 [ f 4 ( x)] = f 2 (1 / x) = 1 / x = f 3 ( x)

f 4 f 2 ( x) f 4 [ f 2 ( x)] = f 4 ( x) = 1 / x = f 3 ( x) .
f 22 ( x) f 32 = f 42 = x = f1 ( x) .
f 4 f 3 ( x) f 4 [ f 3 ( x)] = f 4 (1 / x) = x = f 2 ( x) f 3 f 4 ( x) f 3 [ f 4 ( x)] = f 3 (1 / x) = x = f 2 ( x) .
{e, c 2 , c 2 , c 2} .
A.33 C 4v = {e, c 4 , c 42 , c 43 , x , y , x , y },

() x 3 , () eix () cos x , 4 z.
,
- .
- .

x, y.
() x 3 x 3 y 3 .
(2,0,-2,0,0) 5 {{e}, {c42 }{
, c4 , c43 }, { x , y }{
, x , y }}.

(x 3 , y 3 ) .
() eix e-ix, eiy e-iy.
5 (4,0,0,2,0), 1+1+. (eix+e-ix+eiy+e-iy)=
2(cosx+cosy) 1. To
(eix+e-ix-eiy-e-iy)=2(cosx-cosy) 1, (eix-e-ix+eiy-eiy
)= 2i(sinx+siny) (eix-e-ix-eiy+e-iy)=2i(sinx-siny) .
() cosx cosy. (2,2,0,2,0)
5 , 1+1. (cosx+cosy)
1, (cosx-cosy) 1.

A.34 ()
L=0, L=1, L=2 L=3,
( ). . ()
D4 (
D4 4 );

L ( ) 2L+1.
1, 3, 5 7 . L=0
.

( ) = sin (l + 1 / 2 ) sin .
(3,0,-1,-1,1) L=1, (5,-1,1,1,-1) L=2 (7,1,-1,-1,-1) L=3.
L=1 1
( ), L=2 +2 ( 5
), L=3 2+1+2 (
).
D4,
[ee, c 42 , c 2 x , c 2 y c 42 (O), c 4 , c 43 c 4 , c 43 (O), c 2 x , c 2 y c 2 (O)],

C4v: A2B1, EA1+B1,

78

T1E+A2 T2E+B2 ( ),
.
A.35 2 ( ),
, .

2 D (1) D (1) = D ( 0 ) + D (1) + D ( 2 ) .

D(l) sin (l + 1 2 )
,
sin / 2
:
l=0 (D)=(1,1,1,1,1). 1 .
l=1 (D)=(3,0,-1,1,-1). 2 .
l=2 (D)=(1,1,1,1,1). +1.
1++1+2.
, ij
D ( 2) + D (1) + D ( 0 ) .
2
.
.36 (p-1) 1, 2, 3, . (p-1).

modul p ( p ).
() .
() p=7.
() Ap-1=e .

modulo p modulo p,
(0,1,2,.p-1). 0,
p, . , p,
0. 1=1= ( e=1).
, p, , ,
, , . ,
(modulo p), -1(modulo p), -1=e=1.
-1=np+1. -1=(np+1)/A (modulo p) 0
1,2,3.p.
p=7
1
2
3
4
5
6
1
2
3
4
5
6
1
2
4
6
1
3
5
2
3
6
2
5
1
4
3
4
1
5
2
6
3
4
5
3
1
6
4
2
5
6
5
4
3
2
1
6
p-1
p-1 . A =e.
p - (p-1)
.

79

.37
(..
),
D3.

4 , D(4)+2D(2)+2D(0).
sin l + 1
(l )
2 :
l=4, (cos ) =
sin
2
( 4 ) (e) = 9, ( 4 ) (c 2 ) = 1, ( 4 ) (c3 ) = 0 .

- D ( 4) = 2 A1 + A2 + 3E .
l=2 ( 2 ) (e) = 5, ( 2) (c 2 ) = 1, ( 2 ) (c3 ) = 1 .
D ( 2) = A1 + 2 E , D ( 0) = A1 .
6 .

6 A1 + A2 + 7 E ,

.38 C3v z 3 ,
,
, :
() xz
() xy
() x3
, -
.

() z (A1 - ),
(x,y) ( - ).
() (x,y) xy
(x2,y2,xy), 3- ,
. , - 1+
(x2+y2) (x2-y2,xy).
() , x3
(x3,y3,x2y,xy2), .
. c2 (c2)=0,
(c3)=1, (e)=4. -
A1+A2+E.
.39 N3 ,
. :
() .
() .
() .

C3v.
12-
(e) = 12, (c 2 ) = 2, (c3 ) = 0 ,
. -

80

I tot = 3 A1 + A2 + 4 E . x,y,z,
- 1 (z) E (x,y).
I tot I trans = 2 A1 + A2 + 3E .
2 . I int = 2 A1 + 2 E .
.40
0 0 0 1
0 0 1 0
0 0 0 1
1 0 0 0

0 0 1 0
0 0 0 1
1 0 0 0
0 1 0 0
,B=
, A=
E =
,C =
0 1 0 0
0 0 1 0
0 1 0 0
1 0 0 0

1 0 0 0
0 1 0 0
0 0 1 0
0 0 0 1

, .
C 4v = {e, c 4 , c 42 , c 43 , x , y , x , y }.

: 1 1 4, 2 2 1, 3
3 2 4 4 3. 1234,
90 270
.
180. C 180 2 (c2y).

D4 C4v.
.41 () x1x2+x3+x4, ()
x1x2+x3x4 () ().

() =(1)(2)(3)(4), =(12), =(34)

C==(12)(34). 2=2=()2=.
() , =(1)(2)(3)(4), =(12), =(34), C=(12)(34),
D=(14)(23), F=(13)(24). .
CD=F, DF=C, AD=(1324)=G =AF=(1423). 8
() .
.42 ( D3h),

( -)
( - - ).
() () ,
.

- .
( -)
: ()(e)= 3, ()(c3)=()(s3)= 0, ()(c'2)= ()(v)= 1, ()( h)= 3.
- ()='1+'.
- 3 .
6- . ()(e)= 6, ()(c3)=()(s3)= 0,
()(c'2)= -2, ()(v)= 0, ()( h)= 0.
- ()='2+''2+'+'.

81

.43
C2v. ()
. ()
Raman
;

9-
. ,
. (e)=9, (c2)=-1, (v)=3, (v)=1.
- tot=3A1+A2+3B1+2B2.
x,y,z
- 1, 2 1 . tot-tran=2A1+A2+2B1+B2.
.
x,y,z, 2, 1 2 .
tot-tran-rot=int=2A1+B1.
1 Raman ( x2,y2,z2)
IR ( z). 1 Raman ( xz)
IR ( x).

82