Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

Journal of Chemical Physics

Volumn 118, Issue 9, 2003, Pages 3928-3934

  Hutter, Jürg ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; FORMALDEHYDE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

KOHN-SHAM FORMULATION; PLANE WAVE BASIS SET FRAMEWORK; TAMM-DANCOFF APPROXIMATION;

MOLECULAR PHYSICS;

EID: 0037338058     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540109     Document Type: Article

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