Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding
© 2017 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 38(2017), 27 vom: 15. Okt., Seite 2316-2325 |
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| Auteur principal: | |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2017
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't ab initio program density fitting density-functional theory frozen-density embedding properties |
| Accès en ligne |
Volltext |