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Volumn 36, Issue 4, 1987, Pages 1544-1561

Chemical physics without the Born-Oppenheimer approximation: The molecular coupled-cluster method

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Indexed keywords


EID: 0001115344     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.36.1544     Document Type: Article
Times cited : (81)

References (70)
  • 3
    • 84927856610 scopus 로고    scopus 로고
    • .ss 12 J. N. Murrell, S. Carter, S. C. Farantos, P. Huxley, and A. J. C. Varandas, Molecular Potential Energy Functions (Wiley, New York, 1984), p. 29–33.
  • 7
    • 84927856609 scopus 로고    scopus 로고
    • there are several relevant articles in Israel J. Chem. 19, 3 (1980).
  • 13
    • 84927856608 scopus 로고    scopus 로고
    • Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York, 1981); Molecular Collision Dynamics, Vol. 33 of Topics in Current Physics, edited by J. M. Bowman (Springer, New York, 1983); see also M. Baer, in Theory of Chemical Reactions, edited by M. Baer (CRC Press, 1985), p. 219.
  • 20
    • 84927856606 scopus 로고    scopus 로고
    • See also the abundant references in these articles.
  • 25
    • 84927856605 scopus 로고    scopus 로고
    • For largely historical reasons peculiar to quantum chemical applications (see Ref. 24), the cluster operators are here denoted by Tk rather than Sk as in Coester's original and subsequent nuclear physics work. No dislike for Coester's notation is implied.
  • 29
    • 84927856604 scopus 로고    scopus 로고
    • see also the many references to earlier less accurate calculations.
  • 34
    • 36849099976 scopus 로고
    • On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods
    • (1966) The Journal of Chemical Physics , vol.45 , pp. 4256
    • Cizek, J.1
  • 48
    • 84927856603 scopus 로고    scopus 로고
    • Notice the noncommutation of T dot and T.
  • 60
    • 84927856599 scopus 로고    scopus 로고
    • R. J. Bartlett and M. Rittby (unpublished). T2(r) must be included to provide a description of excited states consistent with that of the ground state.
  • 63
    • 84927856598 scopus 로고    scopus 로고
    • see also Woolley (Ref. 45) for a response.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.