Implementation of energy and gradient for the TDDFT-approximate auxiliary function (aas) method.
| Autor: | Wang, Yuchen1 (AUTHOR), Havenridge, Shana1 (AUTHOR), Aikens, Christine M.1 (AUTHOR) cmaikens@ksu.edu |
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| Zdroj: | Journal of Chemical Physics. 7/14/2024, Vol. 161 Issue 2, p1-11. 11p. |
| Databáze: | Academic Search Ultimate |
| Externí odkaz: |
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