Electronic non-adiabatic states: Towards a density functional theory beyond the Born-Oppenheimer approximation

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 372, Issue 2011, 2014, Pages

  Gidopoulos, Nikitas I ^a   Gross, E K U ^b  

^a DURHAM UNIVERSITY   (United Kingdom)

^b MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

Author keywords

Beyond Born Oppenheimer; Density functional theory; Non adiabatic effects

Indexed keywords

VARIATIONAL TECHNIQUES; WAVE FUNCTIONS;

ADIABATIC APPROXIMATIONS; BORN-OPPENHEIMER; BORN-OPPENHEIMER APPROXIMATION; NON-ADIABATIC COUPLING; NON-ADIABATIC EFFECT; NUCLEAR CONFIGURATION; NUCLEAR WAVE FUNCTIONS; VARIATIONAL PRINCIPLES;

DENSITY FUNCTIONAL THEORY;

EID: 84894231252     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2013.0059     Document Type: Article

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