Beyond Ehrenfest: Correlated non-adiabatic molecular dynamics

Journal of Physics Condensed Matter

Volumn 16, Issue 46, 2004, Pages 8251-8266

  Horsfield, Andrew P ^a   Bowler, D R ^a   Fisher, A J ^a   Todorov, Tchavdar N ^b   Sánchez, Cristián G ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DEGREES OF FREEDOM (MECHANICS); KINETIC ENERGY; MATHEMATICAL MODELS; PHONONS; THERMODYNAMICS;

ELECTRONIC SUBSYSTEM; HARTREE-FOCK APPROXIMATION; NON-ADIABATIC MOLECULAR DYNAMICS; THERMODYNAMIC STATE;

MOLECULAR DYNAMICS;

EID: 9944249993     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/16/46/012     Document Type: Article

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