Multiple time step integrators in ab initio molecular dynamics

Journal of Chemical Physics

Volumn 140, Issue 8, 2014, Pages

  Luehr, Nathan ^a,b   Markland, Thomas E ^a   Martínez, Todd J ^a,b  

^a STANFORD UNIVERSITY   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATIONAL CHEMISTRY; SEPARATION; TIME MEASUREMENT;

AB INITIO CALCULATIONS; AB INITIO MOLECULAR DYNAMICS; AB INITIO POTENTIALS; ELECTRONIC HAMILTONIAN; EMPIRICAL POTENTIALS; MOLECULAR DYNAMICS SIMULATIONS; MULTIPLE TIME SCALE; MULTIPLE TIME SCALE ALGORITHMS;

MOLECULAR DYNAMICS;

EID: 84896790402     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4866176     Document Type: Article

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