A comparison of different DODS methods when the number of electrons increases

I. Mayer, M. Kertész

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20 Citations (Scopus)

Abstract

We have performed RHF, UHF, UHF with subsequent spin projection, and EHF calculations for the π‐electrons of some polyene chains of different lengths in order to investigate the relations among these methods when the number of electrons increases. Special attention is paid to the importance of spin projection for different energetic quantities.

Original languageEnglish
Pages (from-to)961-966
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume10
Issue number6
DOIs
Publication statusPublished - 1976

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ASJC Scopus subject areas

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

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