Reply to ‘‘Comment on ‘Force in SCF theories’ ’’

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<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>

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Details 詳細情報について

  • CRID
    1873961342283127936
  • DOI
    10.1063/1.446090
  • ISSN
    10897690
    00219606
  • Data Source
    • OpenAIRE

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