Analytic energy derivatives for the direct iterative approach to the generalized bloch equation

Collection of Czechoslovak Chemical Communications

Volumn 66, Issue 8, 2001, Pages 1164-1189

  Meissner, Holger ^a   Paldus, Josef ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

Analytic derivatives; Bloch equation; Geometry optimization; Multireference approach; Property calculations; Quantum chemistry

Indexed keywords

EID: 0035648599     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20011164     Document Type: Article

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