Direct calculation of coupled diabatic potential-energy surfaces for ammonia and mapping of a four-dimensional conical intersection seam

Journal of Chemical Physics

Volumn 124, Issue 12, 2006, Pages

  Nangia, Shikha ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONICAL INTERSECTION SEAM; COUPLED DIABATIC POTENTIAL-ENERGY SURFACES; DIABATIC COUPLING SURFACES; DIABATIZATION; MULTICONFIGURATION QUASIDEGENERATE PERTURBATION THEORY;

INTERSECTIONS; MAPPING; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

AMMONIA;

EID: 34547853461     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2168447     Document Type: Article

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