Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study

Chemical Physics Letters

Volumn 476, Issue 1-3, 2009, Pages 97-100

  Mori, Toshifumi ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL DERIVATIVE; COMPLETE ACTIVE SPACE; CONICAL INTERSECTION; CYCLOHEXADIENE; ELECTRON CORRELATION EFFECT; ENERGY DIFFERENCES; MINIMUM ENERGY; MULTI STATE; POTENTIAL ENERGY LANDSCAPES; RING OPENING REACTION; SECOND ORDER PERTURBATION THEORY;

ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; INTERSECTIONS; PERTURBATION TECHNIQUES; PHOTOCHEMICAL REACTIONS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

POTENTIAL ENERGY;

EID: 67649386463     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.05.067     Document Type: Article

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