On the calculation of long-range coulombic contributions to the direct space LCAO CO matrix elements of model polymers

J. Delhalle, J. M. André, Ch Demanet, J. L. Brédas

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

Abstract

Applying the FSGO method to an infinite chain of lithium hydride molecules, the long-range coulombic interactions are discussed in the case of model polymers. An efficient way to compute properly these contributions in direct space is suggested.

Original languageEnglish (US)
Pages (from-to)186-190
Number of pages5
JournalChemical Physics Letters
Volume54
Issue number1
DOIs
StatePublished - Feb 15 1978
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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