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 |
| 巻 | 109 |
| 号 | 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