Interpolation of diabatic potential energy surfaces

Journal of Chemical Physics

Volumn 121, Issue 6, 2004, Pages 2515-2527

  Evenhuis, Christian R ^a   Collins, Michael A ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; ELECTRONIC STRUCTURE; ERROR ANALYSIS; HAMILTONIANS; INTERPOLATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PROBABILITY; QUANTUM THEORY; VECTORS;

ADIABATIC TO DIABATIC TRANSFORMATION (ADT); POTENTIAL ENERGY SURFACE (PES); QUANTUM CHEMISTRY; WAVEFUNCTIONS;

POTENTIAL ENERGY;

EID: 4344595911     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1770756     Document Type: Article

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