Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also includes a relatively small number of off-diagonal coefficients, selected according to the excitation amplitudes undergoing the largest change in the coupled-cluster iteration. A test case shows that the new inversion of partial matrix (IPM) method gives much better convergence than the straightforward Jacobi-type scheme or such well known convergence aids as the reduced linear equations or direct inversion in iterative subspace methods.
Язык оригинала | английский |
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Страницы (с-по) | 339-343 |
Число страниц | 5 |
Журнал | Journal of Physics B: Atomic, Molecular and Optical Physics |
Том | 34 |
Номер выпуска | 3 |
DOI | |
Состояние | Опубликовано - 14 фев 2001 |
ID: 11882715