Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states

Journal of Chemical Physics

Volumn 140, Issue 13, 2014, Pages

  Closser, Kristina D ^a,b   Gessner, Oliver ^b   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; HELIUM; KINETIC ENERGY; KINETICS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS; CLASSICAL DYNAMICS; CONFIGURATION INTERACTION SINGLES; ELECTRONIC EXCITATION; ELECTRONICALLY EXCITED STATE; GROUND-STATE ATOMS; HELIUM CLUSTERS; KINETIC ENERGY RELEASE;

EXCITED STATES;

EID: 84897972756     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4869193     Document Type: Article

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69. See supplementary material at http://dx.doi.org/10.1063/1.4869193 E-JCPSA6-140-057412 for initial geometries and trajectory videos.