Lowdin's pairing theorem and some of its applications

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Abstract

Löwdin's pairing theorem and its extension by Karadakov are briefly overviewed and some less usual applications (outside the original realm of the spin-projected theories) are discussed. These are pertinent to the theory of intermolecular interactions and to the construction of extremely localized, but non-orthogonal, molecular orbitals.

Original languageEnglish
Pages (from-to)3273-3278
Number of pages6
JournalMolecular Physics
Volume108
Issue number21-23
DOIs
Publication statusPublished - Nov 10 2010

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Keywords

  • Karadakov's extended pairing theorem
  • Löwdin's pairing theorem
  • complete basis limit
  • extremely localized molecular orbitals
  • intermolecular interactions
  • pairing theorem

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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