Related references
Note: Only part of the references are listed.Efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
Thomas D. Kuhne et al.
PHYSICAL REVIEW LETTERS (2007)
Time-reversible Born-Oppenheimer molecular dynamics
Anders M. N. Niklasson et al.
PHYSICAL REVIEW LETTERS (2006)
On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter
P Tangney
JOURNAL OF CHEMICAL PHYSICS (2006)
Accelerated, energy-conserving Born-Oppenheimer molecular dynamics via Fock matrix extrapolation
JM Herbert et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable molecules
J Kolafa
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions:: Convergence toward Born-Oppenheimer trajectories
JM Herbert et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Reconsidering Car-Parrinello molecular dynamics using direct propagation of molecular orbitals developed upon Gaussian type atomic orbitals
C Raynaud et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Ab initio molecular dynamics:: Propagating the density matrix with Gaussian orbitals
HB Schlegel et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Share Paper
