共 11 条
[5]
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)] -: art. no. 027101
[J].
JOURNAL OF CHEMICAL PHYSICS,
2005, 123 (02)
:1-2
[7]
THEORY OF ABINITIO MOLECULAR-DYNAMICS CALCULATIONS
[J].
PHYSICAL REVIEW A,
1991, 44 (10)
:6334-6347
[10]
Vibrational frequencies of H2O and CO2 from Car-Parrinello molecular dynamics
[J].
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,
1998, 425 (1-2)
:95-100