Local orbitals for the study of the π→π* excitation in polyenes

International Journal of Quantum Chemistry

Volumn 101, Issue 3, 2005, Pages 325-333

  Pitarch Ruiz, J ^a,b   Evangelisti, S ^a   Maynau, D ^a  

^a CNRS   (France)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

*; CAS SCF; Excitation; Excited states; Local orbitals; Polyenes

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; ELECTRIC EXCITATION; GROUND STATE; PERTURBATION TECHNIQUES; SOLITONS;

Π→Π; CAS-SCF; EXCITATION; EXCITED STATE; LOCAL ORBITALS; MOLECULAR ORBITALS; POLYENES;

MOLECULAR DYNAMICS;

EID: 12144253804     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20217     Document Type: Article

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