| Autor: |
Manten, Sebastian, Lüchow, Arne |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 7/15/2003, Vol. 119 Issue 3, p1307, 6p, 4 Charts, 5 Graphs |
| Abstrakt: |
The scaling of the diffusion quantum Monte Carlo method can be greatly improved when localized orbitals and short-range correlation functions are employed as recently suggested by the authors. The local diffusion quantum Monte Carlo method is described in detail with a careful analysis of errors. The new method achieves near linear scaling in the calculation of the local energy. Results demonstrating the improved performance are presented. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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