A comparative study of the centroid and ring-polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals

Journal of Chemical Physics

Volumn 130, Issue 18, 2009, Pages

  Ṕrez, Alejandro ^a   Tuckerman, Mark E ^b   Müser, Martin H ^c  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

^c UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPARATIVE STUDIES; DESCRIPTOR; EQUILIBRIUM CONFIGURATION; EQUILIBRIUM PATH; ERGODICITY; EXACT RESULTS; INTERNAL CONSISTENCY; MODEL SYSTEM; MOLECULAR DYNAMICS METHODS; ONE-DIMENSIONAL SYSTEMS; PARA-HYDROGEN; PATH INTEGRAL; QUANTUM TIME CORRELATION FUNCTION; REAL-TIME CORRELATIONS; RESAMPLING; SAMPLING TECHNIQUE; TIME CORRELATION FUNCTIONS; TRIPLE POINTS;

HYDROGEN; MOLECULAR DYNAMICS; POLYMERS; QUANTUM THEORY;

DYNAMICS;

EID: 67249156305     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3126950     Document Type: Article

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