Bridging quantum chemistry and solid-state physics

Research output: Contribution to journalArticle

Abstract

This article reviews the developments made primarily by the author in mathematical theories and algorithms for systematic many-body descriptions of correlated electrons and anharmonic lattice vibrations in polymers and molecular crystals. It also documents underlying size-extensive electron-correlation methods and their computerized implementations as well as a few pivotal applications.

Original languageEnglish (US)
Pages (from-to)3113-3124
Number of pages12
JournalMolecular Physics
Volume108
Issue number21-23
DOIs
StatePublished - Nov 10 2010
Externally publishedYes

Keywords

  • anharmonic vibrations
  • coupled-cluster theory
  • electron correlation
  • polymers
  • symbolic algebra

ASJC Scopus subject areas

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

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