QXMD: An open-source program for nonadiabatic quantum molecular dynamics
Shimojo, Fuyuki, Fukushima, Shogo, Kumazoe, Hiroyuki, Misawa, Masaaki, Ohmura, Satoshi, Rajak, Pankaj, Shimamura, Kohei, Bassman, Lindsay, Tiwari, Subodh, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta,Volume:
10
Journal:
SoftwareX
DOI:
10.1016/j.softx.2019.100307
Date:
July, 2019
File:
PDF, 894 KB
2019