Path integral molecular dynamics calculations of the H6+ and D6+ clusters on an ab initio potential energy surface

Chemical Physics Letters

Volumn 449, Issue 1-3, 2007, Pages 28-32

  Kakizaki, Akira ^a   Takayanagi, Toshiyuki ^a   Shiga, Motoyuki ^b  

^a SAITAMA UNIVERSITY   (Japan)

^b JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER MOBILITY; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; POSITIVE IONS; POTENTIAL ENERGY;

DENSITY DISTRIBUTIONS; ELECTRONIC STRUCTURE CALCULATIONS; POTENTIAL ENERGY SURFACE;

MOLECULAR DYNAMICS;

EID: 36048985415     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.10.032     Document Type: Article

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