Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation.
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| Title: | Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation. |
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| Authors: | Abbott AS; Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States., Abbott BZ; Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States., Turney JM; Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States., Schaefer HF 3rd; Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States. |
| Source: | The journal of physical chemistry letters [J Phys Chem Lett] 2021 Apr 01; Vol. 12 (12), pp. 3232-3239. Date of Electronic Publication: 2021 Mar 25. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7185 (Electronic) Linking ISSN: 19487185 NLM ISO Abbreviation: J Phys Chem Lett Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1948-7185 |
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| DOI: | 10.1021/acs.jpclett.1c00607 |
