Strictly localized molecular orbitals

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Some possibilities and limitations of the strictly localized model of molecular wave functions are discussed in the light of CNDO/2 calculations. The analysis of non-orthogonal localized molecular orbitals obtained from usual SCF wavefunctions gives some insight into the effects omitted from the strictly localized model.

Original languageEnglish
Pages (from-to)1129-1131
Number of pages3
JournalJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
Volume77
Issue number7
DOIs
Publication statusPublished - Dec 1 1981

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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