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Volumn 65, Issue 1, 1997, Pages 37-48

Vibronic instability of molecular configurations in the hartree-fock-roothaan approximation

Author keywords

Energy surfaces; Molecular geometry; Pseudo Jahn Teller effect; Random phase approximation; Vibronic coupling

Indexed keywords


EID: 0001959775     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)65:1<37::AID-QUA4>3.0.CO;2-1     Document Type: Article
Times cited : (10)

References (20)
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    • R.F. W. Bader, Mol. Phys. 3, 137 (1960); J. N. Murell, J. Mol. Spectrosc 4, 446 (1960); R. F. W. Bader, Can. J. Chem. 40, 1164 (1962); W. Byers Brown and A. Steiner, J. Chem. Phys. 37, 461 (1962).
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  • 2
    • 0342979943 scopus 로고
    • R.F. W. Bader, Mol. Phys. 3, 137 (1960); J. N. Murell, J. Mol. Spectrosc 4, 446 (1960); R. F. W. Bader, Can. J. Chem. 40, 1164 (1962); W. Byers Brown and A. Steiner, J. Chem. Phys. 37, 461 (1962).
    • (1960) J. Mol. Spectrosc , vol.4 , pp. 446
    • Murell, J.N.1
  • 3
    • 34547569019 scopus 로고
    • R.F. W. Bader, Mol. Phys. 3, 137 (1960); J. N. Murell, J. Mol. Spectrosc 4, 446 (1960); R. F. W. Bader, Can. J. Chem. 40, 1164 (1962); W. Byers Brown and A. Steiner, J. Chem. Phys. 37, 461 (1962).
    • (1962) Can. J. Chem. , vol.40 , pp. 1164
    • Bader, R.F.W.1
  • 4
    • 34547569019 scopus 로고
    • R.F. W. Bader, Mol. Phys. 3, 137 (1960); J. N. Murell, J. Mol. Spectrosc 4, 446 (1960); R. F. W. Bader, Can. J. Chem. 40, 1164 (1962); W. Byers Brown and A. Steiner, J. Chem. Phys. 37, 461 (1962).
    • (1962) J. Chem. Phys. , vol.37 , pp. 461
    • Byers Brown, W.1    Steiner, A.2
  • 7
    • 0001300783 scopus 로고
    • I. B. Bersuker, Nouv. J. Chim. 4, 139 (1980); Ibid., Theor. Exp. Chem. 16, 291 (1980).
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  • 11
    • 0013300141 scopus 로고
    • D. Bishop and M. Randic, J. Chem. Phys. 44, 2480 (1966); A. Macias, J. Chem. Phys. 51, 4997 (1969); R. G. Parr and R. F. Borkman, J. Chem. Phys. 49, 1055, (1968); R. F. Borkman, G. Simons, and R. G. Parr, J. Chem. Phys. 50, 58 (1969); H. Nakatsuji, J. Am. Chem. Soc. 95, 345 (1973); Ibid., 96, 24 (1974).
    • (1966) J. Chem. Phys. , vol.44 , pp. 2480
    • Bishop, D.1    Randic, M.2
  • 12
    • 36849100767 scopus 로고
    • D. Bishop and M. Randic, J. Chem. Phys. 44, 2480 (1966); A. Macias, J. Chem. Phys. 51, 4997 (1969); R. G. Parr and R. F. Borkman, J. Chem. Phys. 49, 1055, (1968); R. F. Borkman, G. Simons, and R. G. Parr, J. Chem. Phys. 50, 58 (1969); H. Nakatsuji, J. Am. Chem. Soc. 95, 345 (1973); Ibid., 96, 24 (1974).
    • (1969) J. Chem. Phys. , vol.51 , pp. 4997
    • Macias, A.1
  • 13
    • 0042451267 scopus 로고
    • D. Bishop and M. Randic, J. Chem. Phys. 44, 2480 (1966); A. Macias, J. Chem. Phys. 51, 4997 (1969); R. G. Parr and R. F. Borkman, J. Chem. Phys. 49, 1055, (1968); R. F. Borkman, G. Simons, and R. G. Parr, J. Chem. Phys. 50, 58 (1969); H. Nakatsuji, J. Am. Chem. Soc. 95, 345 (1973); Ibid., 96, 24 (1974).
    • (1968) J. Chem. Phys. , vol.49 , pp. 1055
    • Parr, R.G.1    Borkman, R.F.2
  • 14
    • 36849102174 scopus 로고
    • D. Bishop and M. Randic, J. Chem. Phys. 44, 2480 (1966); A. Macias, J. Chem. Phys. 51, 4997 (1969); R. G. Parr and R. F. Borkman, J. Chem. Phys. 49, 1055, (1968); R. F. Borkman, G. Simons, and R. G. Parr, J. Chem. Phys. 50, 58 (1969); H. Nakatsuji, J. Am. Chem. Soc. 95, 345 (1973); Ibid., 96, 24 (1974).
    • (1969) J. Chem. Phys. , vol.50 , pp. 58
    • Borkman, R.F.1    Simons, G.2    Parr, R.G.3
  • 15
    • 0000702615 scopus 로고
    • D. Bishop and M. Randic, J. Chem. Phys. 44, 2480 (1966); A. Macias, J. Chem. Phys. 51, 4997 (1969); R. G. Parr and R. F. Borkman, J. Chem. Phys. 49, 1055, (1968); R. F. Borkman, G. Simons, and R. G. Parr, J. Chem. Phys. 50, 58 (1969); H. Nakatsuji, J. Am. Chem. Soc. 95, 345 (1973); Ibid., 96, 24 (1974).
    • (1973) J. Am. Chem. Soc. , vol.95 , pp. 345
    • Nakatsuji, H.1
  • 16
    • 0013300141 scopus 로고
    • D. Bishop and M. Randic, J. Chem. Phys. 44, 2480 (1966); A. Macias, J. Chem. Phys. 51, 4997 (1969); R. G. Parr and R. F. Borkman, J. Chem. Phys. 49, 1055, (1968); R. F. Borkman, G. Simons, and R. G. Parr, J. Chem. Phys. 50, 58 (1969); H. Nakatsuji, J. Am. Chem. Soc. 95, 345 (1973); Ibid., 96, 24 (1974).
    • (1974) J. Am. Chem. Soc. , vol.96 , pp. 24


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