| Автор | Lüchow, Arne |
| Автор | Anderson, James B. |
| Дата выпуска | 2000 |
| dc.description | ▪ 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 [NH2,Ps] with ∼10 electrons to C20 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. |
| Формат | application.pdf |
| Издатель | Annual Reviews |
| Копирайт | Annual Reviews |
| Название | MONTE CARLO METHODS IN ELECTRONIC STRUCTURES FOR LARGE SYSTEMS |
| DOI | 10.1146/annurev.physchem.51.1.501 |
| Print ISSN | 0066-426X |
| Журнал | Annual Review of Physical Chemistry |
| Том | 51 |
| Первая страница | 501 |
| Последняя страница | 526 |
| Аффилиация | Lüchow, Arne; Institut für Physikalische Chemie, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, 40225 Germany; e-mail: luechow@uni-duesseldorf.de |
