An effective molecular orbital basis selection scheme to calculate resonant frequency-dependent polarizabilities and polarizability derivatives by time-dependent Hartee-Fock theory

Prabhat K.K. Pandey*, George C. Schatz

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

A non-iterative method for calculating frequency-dependent polarizabilities is developed using time-dependent Hartrec-Fock theory. A simple procedure for selecting molecular orbitals and two-electron integrals in this method is proposed and shown to be effective in reducing computational effort.

Original languageEnglish (US)
Pages (from-to)286-290
Number of pages5
JournalChemical Physics Letters
Volume91
Issue number4
DOIs
StatePublished - Sep 17 1982

ASJC Scopus subject areas

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

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