Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian.
| Autor: | Jiang, Andy1 (AUTHOR) ajiang10224@gmail.com, Glick, Zachary L.2 (AUTHOR), Poole, David2 (AUTHOR), Turney, Justin M.1 (AUTHOR) justin.turney@uga.edu, Sherrill, C. David2 (AUTHOR) sherrill@gatech.edu, Schaefer III, Henry F.1 (AUTHOR) |
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| Zdroj: | Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-20. 20p. |
| Databáze: | Academic Search Ultimate |
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