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.
| 元の言語 | 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 |
| 発行部数 | 10 |
| DOI | |
| 出版物ステータス | Published - 2009 |
Fingerprint
ASJC Scopus subject areas
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry
これを引用
Dual-level hierarchical scheme for linear-scaling divide-and-conquer correlation theory. / Kobayashi, Masato; Nakai, Hiromi.
：: International Journal of Quantum Chemistry, 巻 109, 番号 10, 2009, p. 2227-2237.研究成果: Article
}
TY - JOUR
T1 - Dual-level hierarchical scheme for linear-scaling divide-and-conquer correlation theory
AU - Kobayashi, Masato
AU - Nakai, Hiromi
PY - 2009
Y1 - 2009
N2 - 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.
AB - 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.
KW - Divide-and-conquer method
KW - Dual-level method
KW - Electron correlation
KW - Linear-scaling calculation
KW - Møller-Plesset perturbation
UR - http://www.scopus.com/inward/record.url?scp=67649743685&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=67649743685&partnerID=8YFLogxK
U2 - 10.1002/qua.22111
DO - 10.1002/qua.22111
M3 - Article
AN - SCOPUS:67649743685
VL - 109
SP - 2227
EP - 2237
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - 10
ER -