Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems

Journal of Computational Chemistry

Volumn 24, Issue 12, 2003, Pages 1390-1400

  Witek, Henryk A ^a   Nakano, Haruyuki ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Excitation energy; Multireference perturbation theory; Optimized partitioning; Potential energy surface (PES)

Indexed keywords

ACTIVATION ENERGY; INTERFACIAL ENERGY; OPTIMIZATION; ORGANIC COMPOUNDS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; SPECTROSCOPY;

EXCITATION ENERGY; MULTIREFERENCE PERTURBATION THEORY; OPTIMIZED PARTITIONING; POTENTIAL ENERGY SURFACE;

MOLECULAR STRUCTURE;

EID: 0042061091     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10311     Document Type: Article

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