Assessment of density functional theory based ΔsCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems

Journal of Chemical Physics

Volumn 141, Issue 2, 2014, Pages

  Filatov, Michael ^a   Huix Rotllant, Miquel ^b  

^a UNIVERSITY OF BONN   (Germany)

^b GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; EXCITED STATES; GROUND STATE;

COMPUTATIONAL INVESTIGATION; CONJUGATED SYSTEMS; DIFFERENTIAL CORRELATION; LINEAR RESPONSE METHOD; MULTIREFERENCE CALCULATIONS; SELF-CONSISTENT FIELD; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WAVELENGTH EXCITATIONS;

EXCITATION ENERGY;

CHEMICAL STRUCTURE; ELECTRON; ENERGY TRANSFER; QUANTUM THEORY; THEORETICAL MODEL; ULTRAVIOLET RADIATION;

ELECTRONS; ENERGY TRANSFER; MODELS, THEORETICAL; MOLECULAR STRUCTURE; QUANTUM THEORY; ULTRAVIOLET RAYS;

EID: 84904309615     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4887087     Document Type: Article

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