Dual-level hierarchical scheme for linear-scaling divide-and-conquer correlation theory

Masato Kobayashi, Hiromi Nakai

研究成果: Article

49 被引用数 (Scopus)

抄録

A dual-level hierarchical scheme for the linear-scaling divide-andconquer (DC)-based correlation theory is presented as a combination of dual-buffer and dual-basis approaches. Although the dual-basis approach has been well developed, the dual-buffer approach is specific for the DC correlation method and based on the different interaction lengths between the Hartree-Fock and correlation methods. This study performs numerical assessments of the dual-buffer DC-MP2 (second-order Møller-Plesset perturbation) systematically.

本文言語English
ページ(範囲)2227-2237
ページ数11
ジャーナルInternational Journal of Quantum Chemistry
109
10
DOI
出版ステータスPublished - 2009 7 9

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

フィンガープリント 「Dual-level hierarchical scheme for linear-scaling divide-and-conquer correlation theory」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル