Efficient pole-search algorithm for dynamic polarizability: Toward alternative excited-state calculation for large

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Hiromi Nakai1,2,3,4, Takeshi Yoshikawa1, Yutaro Nonaka1

  • 1Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo, 169-8555, Japan.

Journal of Computational Chemistry
|October 6, 2016
PubMed

Keywords:
dynamic polarizabilityexcited statelinear scalingtime-dependent density functional theory

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