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Theoretical Chemistry Accounts

Volumn 97, Issue 1-4, 1997, Pages 47-58

Determination of diabatic states through enforcement of configurational uniformity

(2) Atchity, Gregory J a Ruedenberg, Klaus a

a IOWA STATE UNIVERSITY (United States)

Author keywords

Avoided crossings; Configuration interaction; Conical intersections; Diabatic states; Diabatization adapted orbitals; Potential energy surfaces

Indexed keywords

EID: 0031285813 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002140050236 Document Type: Article

Times cited : (144)

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