Molecular gradients for the second-order generalized Van Vleck variant of multireference perturbation theory

Journal of Chemical Physics

Volumn 119, Issue 2, 2003, Pages 651-660

  Dudley, Timothy J ^a,b   Khait, Yuriy G ^a,c   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

^b IOWA STATE UNIVERSITY   (United States)

^c Prikladnaya Khimiya Russian Scientific Center   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HAMILTONIANS; PERTURBATION TECHNIQUES; VECTORS;

MOLECULAR GRADIENTS;

MOLECULAR DYNAMICS;

EID: 0043268897     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1579467     Document Type: Article

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