Cargando…
Computational methods in quantum chemistry /
This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solut...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, N.J. :
World Scientific,
©1996.
|
| Colección: | Hasanein, A. A. (Ahmed A.). Quantum chemistry ;
v. 2. World Scientific series in contemporary chemical physics ; v. 5. |
| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods. Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one there. |
|---|---|
| Descripción Física: | 1 online resource (xii, 241 pages) : illustrations. |
| Bibliografía: | Includes bibliographical references. |
| ISBN: | 9789812830289 9812830286 1283739291 9781283739290 |