Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method
We present a new computational algorithm, called direct algorithm, for the symmetry-adapted cluster (SAC) and SAC-configuration interaction (SAC-CI) methodology for the ground, excited, ionized, and electron-attached states. The perturbation-selection technique and the molecular orbital index based...
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| Published in: | The Journal of chemical physics Vol. 128; no. 9; p. 094105 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
07.03.2008
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| ISSN: | 0021-9606 |
| Online Access: | Get more information |
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