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

Tsuguki Touma, Masato Kobayashi, Hiromi Nakai

研究成果: Article査読

30 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)247-252
ページ数6
ジャーナルChemical Physics Letters
485
1-3
DOI
出版ステータスPublished - 2010 1 18

ASJC Scopus subject areas

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

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