Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units-Reference-Cited by-同舟云学术

Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units

Published:2014-11-13 Issue:3 Volume:36 Page:164-170
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Yoshikawa Takeshi¹,Nakai Hiromi¹²³⁴

Affiliation:

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

2. Research Institute for Science and Engineering, Waseda University; Tokyo 169-8555 Japan

3. CREST; Japan Science and Technology Agency; Saitama 332-0012 Japan

4. ESICB; Kyoto University, Kyotodaigaku-Katsura; Kyoto 615-8520 Japan

Funder

Japan Science and Technology Agency

Ministry of Education, Culture, Sports, Science, and Technology

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference63 articles.

1. Two-electron integral evaluation on the graphics processor unit

2. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

3. Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units

4. Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)

5. Acceleration of the GAMESS-UK electronic structure package on graphical processing units

Cited by 24 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA;Journal of Chemical Theory and Computation;2023-07-24

2. Quantum Algorithm of the Divide-and-Conquer Unitary Coupled Cluster Method with a Variational Quantum Eigensolver;Journal of Chemical Theory and Computation;2022-08-04

3. Quantum-Mechanical Molecular Dynamics Simulations on Secondary Proton Transfer in Bacteriorhodopsin Using Realistic Models;The Journal of Physical Chemistry B;2021-09-28

4. Development of Linear-Scaling Relativistic Quantum Chemistry Covering the Periodic Table;Bulletin of the Chemical Society of Japan;2021-06-15

5. Scalable Electron Correlation Methods. 8. Explicitly Correlated Open-Shell Coupled-Cluster with Pair Natural Orbitals PNO-RCCSD(T)-F12 and PNO-UCCSD(T)-F12;Journal of Chemical Theory and Computation;2021-01-06