NMQM

self-studying of Numerical Methods in Quantum Mechanics

Chapter 1: One-dimentional Schrödinger equation

numerov's method, combining forward and backward integration to avoid divergence

Chapter 2: Three-dimensional Schrödinger equation

logarithmic grid, estimating eigenvalue with perturbation theory

Chapter 4: The Variational Method

plane wave expansion

Chapter 5: Non-orthonormal basis sets

generalized eigenvalue problem, Slater-type orbital(STO)

Chapter 6: Self-consistent Field

Hartree method

Chapter 7: Hartree-Fock approximation

Rothaan-Hartree-Fock equations

Chapter 9: Electrons in periodic potential

FFT, Kronig-Penny model

Chapter 10: Pseudopotential

Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende Structures

Chapter 11: Exact diagonalization of quantum spin models

Lanczos algorithm