Monte Carlo methods in electronic structures for large systems.
Annu Rev Phys Chem
; 51: 501-26, 2000.
Article
em En
| MEDLINE
| ID: mdl-11031291
ABSTRACT
Quantum Monte Carlo methods have recently made it possible to calculate the electronic structure of relatively large molecular systems with very high accuracy. These large systems range from positron complexes [NH(2),Ps] with approximately 10 electrons to C(20) isomers with 120 electrons, to silicon crystal structures of 250 atoms and 1000 valence electrons. The techniques for such calculations and a sampling of applications are reviewed.
Buscar no Google
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Annu Rev Phys Chem
Ano de publicação:
2000
Tipo de documento:
Article
País de afiliação:
Alemanha