Comment on "Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories" [J. Chem. Phys. 121, 11542 (2004)].
Iyengar
Srinivasan S
SS
Schlegel
H Bernhard
HB
Scuseria
Gustavo E
GE
Millam
John M
JM
Frisch
Michael J
MJ