Methods of molecular quantum mechanics: an introduction to electronic molecular structure

An advanced text introducing the graduate student to understand the mathematical foundations of the methods needed to do working applications in molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. INDICE: Proposed contents: 1. Principles; 2. Matrices; 3. Atomic Orbitals;4. The Variation Method; 5. Spin; 6. Antisymmetry of Many-Electron Wavefunctions; 7. SCF Calculations and Model Hamiltonians; 8. Post-Hartree-Fock Methods;9. VB Theory and the Chemical Bond; 10. Elements of Rayleigh-Schroedinger (RS) Perturbation Theory; 11. Atomic and Molecular Interactions; 12. Symmetry; References, Author Index, Subject Index

• ISBN: 978-0-470-68441-2
• Editorial: John Wiley & Sons
• Encuadernacion: Rústica
• Páginas: 304
• Fecha Publicación: 20/11/2009
• Nº Volúmenes: 1
• Idioma: Inglés