Ab initio path integral ring polymer molecular dynamics: Vibrational spectra of molecules

Chemical Physics Letters

Volumn 451, Issue 4-6, 2008, Pages 175-181

  Shiga, Motoyuki ^a,b   Nakayama, Akira ^c  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

^b RUHR UNIVERSITY BOCHUM   (Germany)

^c HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; NUMERICAL METHODS; POTENTIAL ENERGY; THERMAL VARIABLES MEASUREMENT; VIBRATIONAL SPECTRA;

COMPLEX MOLECULAR SYSTEMS; POLYMER MOLECULAR DYNAMICS; REAL-TIME QUANTUM DYNAMICS; ROOM TEMPERATURE;

MOLECULAR DYNAMICS;

EID: 38049093422     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.091     Document Type: Article

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