Ab initio centroid path integral molecular dynamics: Application to vibrational dynamics of diatomic molecular systems

Journal of Chemical Physics

Volumn 120, Issue 1, 2004, Pages 312-320

  Ohta, Yasuhito ^a,b   Ohta, Koji ^b   Kinugawa, Kenichi ^c  

^a JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c NARA WOMEN'S UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CORRELATION METHODS; DEGREES OF FREEDOM (MECHANICS); FUNCTIONS; GROUND STATE; HYDROGEN; INFORMATION ANALYSIS; MOLECULAR VIBRATIONS; QUANTUM THEORY;

CENTROID MOLECULAR DYNAMICS (CMD); MOLECULAR ORBITS;

MOLECULAR DYNAMICS;

EID: 0942299410     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1626632     Document Type: Article

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