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...
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| Formato: | Recurso Eletrônico livro eletrônico |
| Idioma: | inglês |
| Publicado em: |
Hoboken, N.J. :
Wiley,
2011.
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| Assuntos: | |
| Acesso em linha: | An electronic book accessible through the World Wide Web; click to view |
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Sumário:
- A. DFT : the basic workhorse
- B. Higher-accuracy methods
- C. More-economical methods
- D. Advanced applications.