Atomic force algorithms in density functional theory electronic-structure techniques based on local orbitals.
Miyazaki
T
T
National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan. miyazaki.tsuyoshi@nims.go.jp
Bowler
D R
DR
Choudhury
R
R
Gillan
M J
MJ