On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

Journal of Chemical Physics

Volumn 130, Issue 19, 2009, Pages

  Witt, Alexander ^a   Ivanov, Sergei D ^a   Shiga, Motoyuki ^a,b   Forbert, Harald ^a   Marx, Dominik ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOCORRELATION FUNCTIONS; COMPLEX MOLECULAR SYSTEMS; INFRARED SPECTRUM; ISOTOPIC SUBSTITUTION; MOLECULAR MODELS; MOLECULAR SYSTEMS; PATH-INTEGRAL MOLECULAR DYNAMICS; QUANTUM DYNAMICS; RING POLYMERS; TIME CORRELATION FUNCTIONS;

INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; QUANTUM THEORY; REGRESSION ANALYSIS; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS;

DYNAMICS;

EID: 65949109276     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3125009     Document Type: Article

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