Convergence of LCAO density matrices in Hartree-Fock calculations on extended model chains

Research output: Contribution to journalArticle

Abstract

Some mathematical implications of the extended nature of model chains are reviewed to call attention to their importance in electronic structure calculations at the restricted Hartree-Fock Roothaan level.
Original languageEnglish
Pages (from-to)717-723
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume26
Issue number5
DOIs
Publication statusPublished - 1984

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