Simulation of electronic excitation in the liquid state by quantum mechanical charge field molecular dynamics

Chemical Physics Letters

Volumn 521, Issue , 2012, Pages 74-77

  Bene, Gabriel E ^a   Hofer, Thomas S ^a   Randolf, Bernhard R ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CHARGE FIELD; ELECTRONIC EXCITATION; EXCITATION BANDS; EXCITED SYSTEMS; HYDRATION SHELL; LIQUID STATE; MOLECULAR DYNAMICS SIMULATIONS; QUANTUM MECHANICAL; REDUCED COORDINATION; VIBRATIONAL ENERGY TRANSFER;

DYNAMICS; ENERGY TRANSFER; HYDRATES; HYDRATION; MOLECULAR DYNAMICS; QUANTUM THEORY;

EXCITED STATES;

EID: 84855200470     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.11.066     Document Type: Article

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