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 |
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ページ(範囲) | 2227-2237 |
ページ数 | 11 |
ジャーナル | International Journal of Quantum Chemistry |
巻 | 109 |
号 | 10 |
DOI | |
出版ステータス | Published - 2009 7月 9 |
ASJC Scopus subject areas
- 原子分子物理学および光学
- 凝縮系物理学
- 物理化学および理論化学