Time-dependent Hartree-Fock frequency-dependent polarizability calculation applied to divide-and-conquer electronic structure method

Tsuguki Touma, Masato Kobayashi, Hiromi Nakai

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

This Letter describes the extension of the linear-scaling divide-and-conquer (DC) approach to the time-dependent Hartree-Fock (TDHF) method for evaluating dynamic polarizabilities. In this DC-TDHF method, the density response appeared in the coupled perturbed Hartree-Fock equation of the TDHF method as well as the unperturbed Hartree-Fock density matrix are constructed in the DC manner. Numerical assessments demonstrate that the present DC-TDHF method gives highly accurate results with less computational costs.

Original languageEnglish
Pages (from-to)247-252
Number of pages6
JournalChemical Physics Letters
Volume485
Issue number1-3
DOIs
Publication statusPublished - 2010 Jan 18

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ASJC Scopus subject areas

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

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