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Reply to ‘‘Comment on ‘Force in SCF theories’ ’’
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Description
<jats:p>Pulay’s1 comments on the author’s accurate Hellmann-Feynman force method2−4 to calculating wave functions are answered. The comments concern reducing the computer time with an energy gradient method. (AIP)</jats:p>
Journal
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- The Journal of Chemical Physics
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The Journal of Chemical Physics 79 2493-2495, 1983-09-01
AIP Publishing
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Details 詳細情報について
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- CRID
- 1873961342283127936
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- DOI
- 10.1063/1.446090
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- ISSN
- 10897690
- 00219606
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- Data Source
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- OpenAIRE