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Volumn 106, Issue 17, 1997, Pages 7185-7192

Quadratic configuration interaction versus coupled-cluster theory: Importance of orbital relaxation phenomena in CuH and CuF

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EID: 0000502065     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473680     Document Type: Article
Times cited : (48)

References (37)
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    • (1989) Chem. Phys. Lett. , vol.157 , pp. 479
    • Raghavachari, K.1    Trucks, G.W.2    Pople, J.A.3    Head-Gordon, M.4
  • 5
    • 0006244148 scopus 로고
    • edited by U. Kaldor Springer-Verlag, Bertin/Heidelberg
    • K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989); K. Raghavachari, J. A. Pople, and M. Head-Gordon, Many-Body Methods in Quantum Chemistry, edited by U. Kaldor (Springer-Verlag, Bertin/Heidelberg, 1989).
    • (1989) Many-Body Methods in Quantum Chemistry
    • Raghavachari, K.1    Pople, J.A.2    Head-Gordon, M.3
  • 18
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    • A. J. H. Wachters, J. Chem. Phys. 52, 1033 (1970); C. W. Bauschlicher, Jr., S. R. Langhoff, and L. A. Barnes, ibid. 91, 2399 (1989).
    • (1970) J. Chem. Phys. , vol.52 , pp. 1033
    • Wachters, A.J.H.1
  • 24
    • 84990713479 scopus 로고
    • T. J. Lee, J. E. Rice, G. E. Scuseria, and H. F. Schaefer, Theor. Chim. Acta. 75, 81 (1989); T. J. Lee and P. R. Taylor, Int. J. Quantum Chem. Symp. 23, 199 (1989).
    • (1989) Int. J. Quantum Chem. Symp. , vol.23 , pp. 199
    • Lee, T.J.1    Taylor, P.R.2
  • 30
    • 0003919078 scopus 로고
    • Van Nostrand-Reinhold, New York
    • K. P. Huber and G. Herzberg, Molecular Structure and Molecular Spectra (Van Nostrand-Reinhold, New York, 1979); R. S. Ram, P. F. Bernath, and J. W. Brault, J. Mol. Spectrosc. 113, 269 (1985); J. Hoeft, F. J. Lovas, E. Tiemann, and T. Töning, Z. Naturforsh 23a, 35 (1970).
    • (1979) Molecular Structure and Molecular Spectra
    • Huber, K.P.1    Herzberg, G.2
  • 31
    • 0001126555 scopus 로고
    • K. P. Huber and G. Herzberg, Molecular Structure and Molecular Spectra (Van Nostrand-Reinhold, New York, 1979); R. S. Ram, P. F. Bernath, and J. W. Brault, J. Mol. Spectrosc. 113, 269 (1985); J. Hoeft, F. J. Lovas, E. Tiemann, and T. Töning, Z. Naturforsh 23a, 35 (1970).
    • (1985) J. Mol. Spectrosc. , vol.113 , pp. 269
    • Ram, R.S.1    Bernath, P.F.2    Brault, J.W.3
  • 32
    • 84881110722 scopus 로고
    • K. P. Huber and G. Herzberg, Molecular Structure and Molecular Spectra (Van Nostrand-Reinhold, New York, 1979); R. S. Ram, P. F. Bernath, and J. W. Brault, J. Mol. Spectrosc. 113, 269 (1985); J. Hoeft, F. J. Lovas, E. Tiemann, and T. Töning, Z. Naturforsh 23a, 35 (1970).
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  • 33
    • 0001253921 scopus 로고
    • Some doubt about the experimental value is invoked in the following paper; C. Kölmel and R. Ahlrichs, J. Phys. Chem. 94, 5536 (1990). There is marked discrepancy between the experimental result and theoretical result based on the coupled pair functional procedure.
    • (1990) J. Phys. Chem. , vol.94 , pp. 5536
    • Kölmel, C.1    Ahlrichs, R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.