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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 36, 1978 - Issue 6
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Original Articles

Direct minimization of the energy functional in the LCAO-MO density matrix formalism

V. Application to the separated electron pair theory

&
Pages 1835-1843 | Received 15 May 1978, Published online: 23 Aug 2006

References

  • Polezzo , S. 1975 . Theor. chim. Acta , 38 : 211 – 211 . (b) Polezzo, S., 1975, Theor. chim. Acta, 40, 235. (c) Fantucci, P., Polezzo, S., and Stabilini, M. P., 1976, Theor. chim. Acta, 41, 311. (d) Fantucci, P., and Polezzo, S., 1977, Theor. chim. Acta, 45, 317.
  • Hurley , A.C. 1976 . Electron Correlation in Small Molecules , Academic Press . (b) Saunders, V. R., and Guest, M. F., 1974, Quantum Chemistry, The State of the Art, edited by V. R. Saunders and J. Brown (Atlas Computer Laboratory, Chilton, Didcot, Oxfordshire), p. 119. (c) Kutzelnigg, W., 1977, Methods of Electronic Structure Theory, edited by H. F. Schafer III (Plenum Press), p. 129.
  • Silver , D.M. 1969 . J. chem. Phys. , 50 : 5108 – 5108 . (b) 1970, Ibid., 52, 299; (c) 1971, Ibid., 55, 1461.
  • Klessinger , M. and McWeeny , R. 1965 . J. chem. Phys. , 42 : 3345 – 3345 .
  • Nicely , V.A. and Harrison , J.F. 1971 . J. chem. Phys. , 54 : 4363 – 4363 .
  • Here , W.J. , Lathan , W.A. , Ditchfield , R. , Newton , M.D. and Pople , J.A. 1974 . Quantum Chemistry Program Exchange , 10 ( 236 )
  • Wilson , S. and Gerratt , J. 1974 . Quantum Chemistry, The State of the Art , Edited by: Saunders , V.R. and Brown , J. 109 – 109 . Chilton, Didcot , Oxfordshire : Atlas Computer Laboratory . 1975, Molec. Phys., 30, 765. (b) Meyer, W., 1976, J. chem. Phys., 64, 2901. (c) Hunt, W. J., Hay, P. J., and Goddard III, W. A., 1972, J. chem. Phys., 57, 738.

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