Computational methods for large systems electronic structure approaches for biotechnology and nanotechnology
"While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure t...
Formato: | Libro electrónico |
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Idioma: | Inglés |
Materias: | |
Acceso en línea: | Acceso restringido con credenciales, usuarios UPSA |
Ver en Biblioteca de la Universidad Pontificia de Salamanca: | https://koha.upsa.es/cgi-bin/koha/opac-detail.pl?biblionumber=716794 |
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Tabla de Contenidos:
- A. DFT : the basic workhorse
- B. Higher-accuracy methods
- C. More-economical methods
- D. Advanced applications.