Quantum corrections to classical time-correlation functions: Hydrogen bonding and anharmonic floppy modes

Journal of Chemical Physics

Volumn 121, Issue 9, 2004, Pages 3973-3983

  Ramírez, Rafael ^a   López Ciudad, Telesforo ^a   Kumar P, Padma ^b   Marx, Dominik ^b  

^a INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; APPROXIMATION THEORY; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC STRUCTURE; FREQUENCY DOMAIN ANALYSIS; FUNCTIONS; HYDROGEN BONDS; INTEGRATION; MATHEMATICAL MODELS; METHANE; POTENTIAL ENERGY; PROBABILITY; PROBLEM SOLVING; TIME DOMAIN ANALYSIS;

CENTROID MOLECULAR DYNAMICS (CMD); HARMONIC APPROXIMATIONS; KUBO-TRANSFORMED CORRELATION FUNCTIONS; QUANTUM TUNNELING;

QUANTUM THEORY;

EID: 4644302359     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1774986     Document Type: Article

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