Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution

New Journal of Physics

Volumn 12, Issue , 2010, Pages

  Alonso, J L ^a   Castro, A ^a   Echenique, P ^a,b   Polo, V ^a   Rubio, A ^c   Zueco, D ^a  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ADIABATIC APPROACH; AVOIDED CROSSINGS; BOLTZMANN EQUILIBRIUM; CLASSICAL PARTICLE; COMBINED SYSTEM; CONICAL INTERSECTION; CROSSING POINT; DEGENERATE STATE; EFFECT OF TEMPERATURE; MOLECULAR SYSTEMS; NUCLEAR MOTIONS; QUANTUM PARTICLES; QUANTUM SUBSYSTEMS; RING-CLOSURE PROCESS;

MOLECULAR DYNAMICS; OZONE; QUANTUM CHEMISTRY;

SPIN DYNAMICS;

EID: 77956595587     PISSN: 13672630     EISSN: None     Source Type: Journal    
DOI: 10.1088/1367-2630/12/8/083064     Document Type: Article

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