대한화학회지 (Journal of the Korean Chemical Society)

  • 제14권1호
  • /
  • Pages.133-136
  • /
  • 1970
  • /
  • 1017-2548(pISSN)
  • /
  • 2234-8530(eISSN)
대한화학회 (Korean Chemical Society)
권호 표지

일점전개함수에 의한 수소분자의 Force Constants 의 계산

Calculation of Force Constants of Hydrogen Molecule by Use of One Center Function

  • 김호징 (서울대학교 문리과대학 화학과) ;
  • 조웅인 (서울대학교 문리과대학 화학과) ;
  • 최석진 (서울대학교 문리과대학 화학과)
  • Kim, Ho-Jing (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Choi, Ung-In (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Choi, Suk-Jin (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University)
  • 발행 : 19700300
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초록

The quadratic and cubic force constants of hydrogen molecule are calculated by use of the one center function of Bishop. The master formula on which the computation is based was suggested by the previous work of one of the present authors. The results are in good agreement with the experimental values.

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참고문헌

  1. J. Chem. Phys. v.49 Gerrat, J.;Mills, I.M.
  2. J. Chem. Phys. v.47 Dvoracek, Z.;Horak, Z.
  3. J. Chem. Phys. v.46 Empedocles, P.
  4. J. Chem. Phys. v.44 Benston, M.;Kirtmann, B.
  5. J. Chem. Phys. v.48 Kim, Ho-Jing
  6. J. Chem. Phys. v.41 Kolos, W.;Wolniewicz, L.
  7. Mol. Phys. v.6 Bishop, D.M.
  8. J. Chem. Phys. v.37 Pitzer, R.;Kern, C.;Lipcomb, W.
  9. Angular Momentum in Quantum Mechanics Edmond, A.R.
  10. Math. Compt v.15 Werner, H.;Collinge, R.
  11. Higher Transcendental Functions v.1 Harry Bateman
  12. Mol. Phys. v.7 no.2 Bishop, D.M.;Hoyland, J.R.