Semiquantum molecular dynamics simulation of liquid water by time-dependent Hartree approach

Journal of Chemical Physics

Volumn 131, Issue 6, 2009, Pages

  Hyeon Deuk, Kim ^a   Ando, Koji ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC POTENTIAL; ENERGY EXCHANGES; FREE ENERGY LANDSCAPE; HARTREE APPROACH; HYDROGEN ATOMS; INTERMOLECULAR POTENTIALS; LIQUID STRUCTURES; LIQUID WATER; MOLECULAR DYNAMICS SIMULATIONS; OH STRETCHING VIBRATIONS; PHASE SPACES; RED SHIFT; RED-SHIFTED; ROTATIONAL MOTION; SEMI-QUANTUM LIQUIDS; STRETCHING FREQUENCY; STRETCHING MODES; STRUCTURIZATION; TIME-DEPENDENT; WATER MOLECULE; WAVEPACKET; ZERO-POINT ENERGIES;

ABSORPTION SPECTROSCOPY; ATOMS; DYNAMICS; EQUATIONS OF MOTION; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PHASE SPACE METHODS; STRETCHING; WATER ABSORPTION;

LIQUIDS;

EID: 69149094744     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3200937     Document Type: Article

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