A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Miranda, R P ^a   Fisher, A J ^a   Stella, L ^b   Horsfield, A P ^c  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

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

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER SEPARATION; CHARGE PHOTOGENERATION; CHARGE SEPARATIONS; COUPLED EVOLUTION; DILUTE SOLUTION; ELECTRON HOLE PAIRS; ELECTRONIC WAVE FUNCTIONS; EXCITED ELECTRONIC STATE; NONADIABATIC MOLECULAR DYNAMICS; OPTIMISATIONS; OPTOELECTRONIC APPLICATIONS; POLARON PAIRS; TIME-DEPENDENT HARTREE-FOCK;

COULOMB INTERACTIONS; EXCITONS; MOLECULAR DYNAMICS; PHOTOEXCITATION;

CONJUGATED POLYMERS;

POLYMER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; MOLECULAR DYNAMICS; PHOTOCHEMISTRY; QUANTUM THEORY;

COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; PHOTOCHEMISTRY; POLYMERS; QUANTUM THEORY;

EID: 79960179803     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3600404     Document Type: Article

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