Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators

Journal of Chemical Physics

Volumn 122, Issue 17, 2005, Pages

  Janežič, Dušanka ^a   Praprotnik, Matej ^a   Merzel, Franci ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

INTEGRATORS; INTERNAL COORDINATE SYSTEMS; SYMPLECTIC METHODS; VIBRATIONAL MOTIONS;

CONCENTRATION (PROCESS); ELECTROSTATICS; EQUATIONS OF MOTION; FREQUENCIES; HAMILTONIANS; HARMONIC ANALYSIS; MOLECULAR VIBRATIONS; PHASE EQUILIBRIA;

MOLECULAR DYNAMICS;

EID: 18744367282     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1884607     Document Type: Article

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