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Modern Quantum Chemistry
• Chapter 1 Mathematical Review
• Chapter 2 The postulates of quantum mechanics
• Chapter 3 Angular Momentum
• Chapter 4 The Hydrogen Atom
• Chapter 5 Many-electron wave functions and operators
• Chapter 6 The Hartree-Fock Approximation
• Chapter 7 Electron correlation methods

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Chapter 1 Mathematical Review
Multiplication rule of matrices
Adjoint/Trace/Inverse of an matrix
Matrix & Determinants Unit/Unitary/Hermitian matrix
Important properties of determinants
Matrix representation of operator
Operator Commutator
Hermitian operator
Basis vectors
Ket/Bra vectors
Vector Scalar (dot) product
Orthonormality of basis
Change of basis

Eigenvalue problem Eigenfunctions/eigenvalue/eigenvector


Secular determinant method
Variation method & linear variational problem 11
Chapter 2 The postulates of quantum mechanics

Cartesian coordinate
Quantum-mechanical operator Momentum
Kinetic/potential energy

Time-dependent
Schrödinger equations Time-independent

Born’s Quantum Mechanical Interpretation

Average (expectation) values

Requirements for an acceptable wave function

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Chapter 3 Angular Momentum
One-particle orbital angular momentum
Operators & commutation relations
Normalization of wave function in spherical coordinates
Eigenfunctions and eigenvalues of L2 and Lz
Degeneracy of eigenvalues
Ladder operator for angular momentum
Raising operator & lowering operator
Common eigenvalues of M2 and Mz
Relationships associated between eigenfunction & ladder operators
Spin Angular Momentum
Operators & commutation relations
Eigenfunctions and eigenvalues of S2 and Sz
Degeneracy of eigenvalues
Ladder operators for electron spin
Addition of Angular Momenta Total-angular-momentum 13
Chapter 4 The Hydrogen Atom
One-particle central-force
Hamiltonian & commutation relations with V, L2, Lz
Noninteracting particles
Schrödinger equation & wave function & energy
Relative motion & reduced mass
Two-particle system
Hamiltonian & wave function & energy
Hamiltonian
Two-particle rigid rotor Energy level & degeneracy
Radiation frequency & selection rules
Hamiltonian
Hydrogenlike atom Energy & degeneracy
Radial distribution function
Real wave functions (nodal surfaces,2px…)
The Zeeman effect 14

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