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Computational quantum chemistry : an interactive guide to basis set theory /
This textbook is an interactive learning tool in which the power of EXCEL spreadsheet technology is applied to make plain the fundamentals of basis set theory in atomic and molecular orbital calculations. Spreadsheet calculations are provided on the accompanying CD-ROM.
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
San Diego, Calif. :
Academic Press,
�2002.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Essential atomic orbital theory
- Numerical integration
- Orthonormality
- The hydrogen atom : numerical solutions
- The helium atom and the self-consistent field
- One- and two-electron diatoms.