Cargando…
Linear-Scaling Techniques in Computational Chemistry and Physics Methods and Applications /
Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor Corporativo: | |
| Otros Autores: | , , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Dordrecht :
Springer Netherlands : Imprint: Springer,
2011.
|
| Edición: | 1st ed. 2011. |
| Colección: | Challenges and Advances in Computational Chemistry and Physics,
13 |
| Temas: | |
| Acceso en línea: | Texto Completo |
Tabla de Contenidos:
- Including chapters on: Linear scaling second order Møller Plesset perturbation theory
- Divide-and-conquer approaches to quantum chemistry: Theory and implementation
- Mathematical formulation of the fragment molecular orbital method
- Linear scaling for metallic systems by the Korringa-Kohn-Rostoker multiple-scattering method
- Density matrix methods in linear scaling electronic structure theory
- Methods for Hartree-Fock and density functional theory electronic structure calculations with linearly scaling processor time and memory usage
- Some thoughts on the scope of the linear scaling self-consistent field electrnic structure methods
- The linear scaling semiempirical localSCF method and the finite LMO approximation
- Molecular Tailoring: an Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters
- Local approximations for an efficient treatment of electron correlation and electron excitations in molecules.