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 |
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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