Introductory Quantum Mechanics with MATLAB : for Atoms, Molecules, Clusters, and Nanocrystals /
| Main Author: | |
|---|---|
| Corporate Author: | |
| Format: | eBook |
| Language: | English |
| Published: |
Weinheim, Germany :
John Wiley and Sons, Inc. : Wiley-VCH,
2018.
|
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Part 1 Theory; 1 Introduction to quantum theory; 2 One electron atoms; 2.1 The Bohr atom; 2.2 The Schrodinger equation; 2.3 The electronic structure of atoms and the periodic table; 3 Multi-electron systems: atoms and molecules; 3.1 The variational principle; 3.2 The Hartree approximation; 3.3 The Hartree-Fock approximation; 4 The electron gas; 4.1 The free electron model; 4.2 The Thomas-Fermi approximation; 4.2 Exchange interactions; 5 Density functional theory; 5.1 The Hohenberg-Kohn-Sham Theory; 5.2 The Kohn-Sham equation; 6 Pseudopotential theory; ; Part 2 Numerical Methods; 7 Methods for atoms; 7.1 Variational methods; 7.2 Integration methods; 8 Methods for molecules and clusters; 8.1 Basis set methods; 8.2 Grid methods; 8.3 Diagonalization methods; 8.4 Filtering methods; 9 MATLABR codes for atoms and molecules; ; Part 3 Applications; 10 Atoms; 10.1 Energy levels and orbitals; 10.2 Ionization and affinity energies; 10.3 Polarizabilities; 11 Diatomic and Simple Molecues; 11.1 Chemical trends and ionicity; 11.2 Energy levels and orbitals; 11.3 Binding energies and vibrational modes; 12 Clusters; 12.1 Special form of matter; 12.2 The structure of clusters; 12.2 Role of quantum confinement; 12.2 Energy levels and orbitals; 12.3 Binding energies and vibrational modes; ; Appendix; A Units; B Matlab codes; Bibliography