Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approach
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| Publié dans: | Journal of computational chemistry. - 1984. - 44(2023), 3 vom: 30. Jan., Seite 261-267 |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2023
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Hartree-Fock theory Møller-Plesset second-order perturbation theory complete basis-set limit correlated methods coupled cluster with singles and doubles with perturbative triples many-body interaction energy |
| Accès en ligne |
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