Reduction of the CI dimension based on the use of local orbitals: Application to conjugated systems and excited states

International Journal of Quantum Chemistry

Volumn 106, Issue 3, 2006, Pages 609-622

  Pitarch Ruiz, J ^a,c   Calzado, C J ^b   Evangelisti, S ^a   Maynau, D ^a  

^a UNIVERSITÉ PAUL SABATIER   (France)

^b UNIVERSITY OF SEVILLE   (Spain)

^c UNIVERSITY OF VALENCIA   (Spain)

Author keywords

CAS SDCI; Conjugated systems; Fullerene; Local orbitals; Reduction CI space

Indexed keywords

ELECTRIC EXCITATION; ELECTRON ENERGY LEVELS; FREEZING; FULLERENES;

CAS-SDCI; CONJUGATED SYSTEMS; ORBITAL; REDUCTION CI SPACE;

QUANTUM THEORY;

EID: 33645328038     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20798     Document Type: Conference Paper

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