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Separability Problem in General Many Electron Systems

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Aspects of Many-Body Effects in Molecules and Extended Systems

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 50))

Abstract

Since few problems of interest admit of solutions in closed form in quantum mechanics, we are obliged to use approximate methods based on expansion schemes of one form or another. Such expansions, when truncated at some finite order, often do not reflect some of the inherent properties of the systems under study. A typical example of this type of failure is the well known “symmetry dilemma” encountered in the Hartree — Fock calculation. The broken- symmetric solutions, occasionally faced, stem from the use of a restricted variation of the function in the subspace of single determinants. A full CI calculation will obviously restore the symmetry, but since that is neither practicable nor desirable, additional conditions are imposed to ensure that the resultant functions are symmetry-adapted even at the trial function level.

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Author information

Authors and Affiliations

  1. Theory Group, Department Of Physical Chemistry, Indian Association For The Cultivation Of Science, Calcutta, 700-032, India

    R. Chowdhuri & D. Mukherjee

  2. School Of Science, University Of Hyderabad, Hyderabad, 500134, India

    M. Durga Prasad

Authors
  1. R. Chowdhuri
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  2. D. Mukherjee
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  3. M. Durga Prasad
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Editor information

Editors and Affiliations

  1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Calcutta, 700-032, India

    D. Mukherjee

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© 1989 Springer-Verlag Berlin Heidelberg

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Chowdhuri, R., Mukherjee, D., Prasad, M.D. (1989). Separability Problem in General Many Electron Systems. In: Mukherjee, D. (eds) Aspects of Many-Body Effects in Molecules and Extended Systems. Lecture Notes in Chemistry, vol 50. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-61330-2_1

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  • DOI: https://doi.org/10.1007/978-3-642-61330-2_1

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-50765-9

  • Online ISBN: 978-3-642-61330-2

  • eBook Packages: Springer Book Archive

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