Acceleration of environmental electrostatic potential using Cholesky decomposition with adaptive metric (CDAM) for fragment molecular orbital (FMO) method
Okiyama, Yoshio, Nakano, Tatsuya, Watanabe, Chiduru, Fukuzawa, Kaori, Komeiji, Yuto, Segawa, Katsunori, Mochizuki, YujiJournal:
Bulletin of the Chemical Society of Japan
DOI:
10.1246/bcsj.20200227
Date:
September, 2020
File:
PDF, 739 KB
2020