An efficient density-functional-theory force evaluation for large molecular systems.
Reine, Simen
An efficient density-functional-theory force evaluation for large molecular systems. [electronic resource] - The Journal of chemical physics Jul 2010 - 044102 p. digital
Publication Type: Journal Article
1089-7690
10.1063/1.3459061 doi
An efficient density-functional-theory force evaluation for large molecular systems. [electronic resource] - The Journal of chemical physics Jul 2010 - 044102 p. digital
Publication Type: Journal Article
1089-7690
10.1063/1.3459061 doi