Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
about
Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation AlgorithmPerspective: Quantum mechanical methods in biochemistry and biophysics.Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters.Multiple time step integrators in ab initio molecular dynamics.Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods.
P2860
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
description
2013 nî lūn-bûn
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Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@en
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@nl
type
label
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@en
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@nl
prefLabel
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@en
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@nl
P2860
P356
P1476
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.
@en
P2093
Ryan P Steele
P2860
P304
P356
10.1063/1.4812568
P407
P577
2013-07-01T00:00:00Z