Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics.
| Autor: | Zhang, Xing1 (AUTHOR), Li, Chenghan1 (AUTHOR) gkc1000@gmail.com, Ye, Hong-Zhou2 (AUTHOR), Berkelbach, Timothy C.2 (AUTHOR), Chan, Garnet Kin-Lic1 (AUTHOR) |
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| Zdroj: | Journal of Chemical Physics. 7/7/2024, Vol. 161 Issue 1, p1-10. 10p. |
| Databáze: | Academic Search Ultimate |
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