대한화학회지 (Journal of the Korean Chemical Society)

  • 제17권5호
  • /
  • Pages.332-336
  • /
  • 1973
  • /
  • 1017-2548(pISSN)
  • /
  • 2234-8530(eISSN)
대한화학회 (Korean Chemical Society)
권호 표지

Degenerate Case의 Integral Hellmann-Feynman Theorem

Integral Hellmann-Feynman Theorem of Degenerate Case

  • Kim, Hie-Joon (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Kim, Ho-Jing (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Kim, Ui-Rak (Department of Chemistry, Catholic Medical College)
  • 발행 : 1973.10.30
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초록

Integral Hellmann-Feynman Theorem을 degenerate case에 연장 전개하였다. 연장된 formula의 특성을 조사하고 근사식을 제안하였다. Conventional crystal field theory에 대한 고차섭동 에너지 보정의 가능성을 논의 하였다.

Integral Hellmann-Feynman Theorem is extended to degenerate case. The characteristics of the extended formula are studied and an approximation is suggested. The possibility of higher order perturbation energy correction to the conventional crystal field theory is discussed.

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참고문헌

  1. J. Chem. Phys. v.41 H. Kim;R.G. Parr
  2. J. Chem. Phys. v.49 H. Kim;R.G. Parr
  3. J.Korean Chem. Soc. v.14 H.Kim;U.Cho
  4. J.Chem.Phys. v.23 L.E. Orgel
  5. Ann. Phys. v.2 A.D.Liehr;C.J. Ballhausen
  6. J.Phys.Soc.Japan v.9 Y. Tanabe;S.Sugano
  7. Z.Naturforsch. v.22b J.R.Perumareddi
  8. J.Chem.Phys. v.20 W.H.Kleiner
  9. J. Phys. Soc. Japan v.11 Y.Tanabe;S.Sugano
  10. J. Phys. Chem. Solids v.11 J.C.Phillips
  11. Phys. Rev. v.120 A.J.Freeman;R.E. Watson
  12. Phys.Rev. v.130 S. Sugano;R.G. Shulman
  13. Phys. Rev. v.134 no.6A R.E.Watson;A.J. Freeman
  14. J.Phys.Soc.Japan v.20 no.7 S. Sugano;Y. Tanabe
  15. J. Chem. Phys. v.47 no.8 P.O. Offenhartz
  16. Phys. Rev. v.180 no.2 H.M.Gladney;A.Veillard