Automatic Differentiation for the Direct Minimization Approach to the Hartree–Fock Method
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- Naruki Yoshikawa
- Department of Computer Science, University of Toronto, 40 St. George Street, Toronto, Ontario M5S 2E4, Canada
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- Masato Sumita
- Center for Advanced Intelligence Project, RIKEN, 1-4-1 Nihombashi, Chuo-ku, Tokyo 103-0027, Japan
収録刊行物
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- The Journal of Physical Chemistry A
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The Journal of Physical Chemistry A 126 (45), 8487-8493, 2022-11-08
American Chemical Society (ACS)