Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The problem of the partial inclusion of electron correlation effects has been considered in the framework of the unrestricted Hartree-Fock method. The calculation of the electronic structure of the [Ti2O9]12- cluster is performed. The results obtained demonstrate that, in some cases, a major part of static correlation effects can be taken into account in the unrestricted Hartree-Fock approximation. The influence of these effects on the local characteristics of crystals is analyzed.
| Язык оригинала | английский |
|---|---|
| Страницы (с-по) | 59-64 |
| Число страниц | 6 |
| Журнал | Physics of the Solid State |
| Том | 42 |
| Номер выпуска | 1 |
| DOI | |
| Состояние | Опубликовано - янв 2000 |
ID: 84356251