A corpuscular picture of electrons in chemical bond.

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Abstract

We introduce a theory of chemical bond with a corpuscular picture of electrons. It employs a minimal set of localized electron wave packets with "floating and breathing" degrees of freedom and the spin-coupling of non-orthogonal valence-bond theory. Its accuracy for describing potential energy curves of chemical bonds in ground and excited states of spin singlet and triplet is examined.

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Details 詳細情報について

  • CRID
    1050001335829959808
  • NII Article ID
    120005741179
  • NII Book ID
    AA00694991
  • ISSN
    00219606
  • HANDLE
    2433/210098
  • Text Lang
    en
  • Article Type
    journal article
  • Data Source
    • IRDB
    • CiNii Articles

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