Marching along Ridges. Efficient Location of Energy-Minimized Conical Intersections of Two States Using Extrapolatable Functions

Journal of Physical Chemistry A

Volumn 108, Issue 15, 2004, Pages 3200-3205

  Yarkony, David R ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONICAL INTERSECTIONS; COUPLING VECTORS; ENERGY GRADIENTS;

EXTRAPOLATION; FUNCTIONS; HAMILTONIANS; INTERPOLATION; LAGRANGE MULTIPLIERS; POTENTIAL ENERGY;

MOLECULAR DYNAMICS;

EID: 2342638416     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0374354     Document Type: Article

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