Fast semistochastic heat-bath configuration interaction
This paper presents in detail our fast semistochastic heat-bath configuration interaction (SHCI) method for solving the many-body Schrödinger equation. We identify and eliminate computational bottlenecks in both the variational and perturbative steps of the SHCI algorithm. We also describe the paral...
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| Published in: | The Journal of chemical physics Vol. 149; no. 21; p. 214110 |
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| Main Authors: | , , , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
07.12.2018
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| ISSN: | 1089-7690, 1089-7690 |
| Online Access: | Get more information |
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