Spin-restricted open-shell coupled-cluster theory

Journal of Chemical Physics

Volumn 107, Issue 21, 1997, Pages 9028-9038

  Szalay, Péter G ^a,b   Gauss, Jürgen ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000429996     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475220     Document Type: Article

References (31)

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2. For reviews, see R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett and J. F. Stanton, Rev. Comp. Chem. 5, 65 (1994); R. J. Bartlett, in Modern Electronic Structure Theory, Part II, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 1047; T. J. Lee and G. E. Scuseria, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer Academic, Dordrecht, 1995), p. 47; J. Gauss, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, New York, in press).
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4. For reviews, see R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett and J. F. Stanton, Rev. Comp. Chem. 5, 65 (1994); R. J. Bartlett, in Modern Electronic Structure Theory, Part II, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 1047; T. J. Lee and G. E. Scuseria, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer Academic, Dordrecht, 1995), p. 47; J. Gauss, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, New York, in press).
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17. p no longer vanish.
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31. q involves for this CC scheme no product terms, the A equations consist only of the first term on the right-hand side of Eqn. (32) to Eqs. (41).