On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

Journal of Computational Chemistry

Volumn 22, Issue 7, 2001, Pages 765-786

  Salvador, Pedro ^a,b   Paizs, Béla ^a   Duran, Miquel ^b   Suhai, Sandor ^a  

^a GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

^b UNIVERSITY OF GIRONA   (Spain)

Author keywords

Ab initio; BSSE; CHA; CP scheme; Geometry optimization; Intermolecular complex

Indexed keywords

EID: 20644461001     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1042     Document Type: Article

References (11)

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