The accuracy of molecular bond lengths computed by multireference electronic structure methods

Chemical Physics

Volumn 349, Issue 1-3, 2008, Pages 37-57

  Shepard, Ron ^a   Kedziora, Gary S ^b   Lischka, Hans ^c   Shavitt, Isaiah ^d   Müller, Thomas ^e   Szalay, Péter G ^f   Kállay, Mihály ^g   Seth, Michael ^h  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b WRIGHT PATTERSON AIR FORCE BASE   (United States)

^c UNIVERSITY OF VIENNA   (Austria)

^d UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^e FORSCHUNGSZENTRUM JÜLICH   (Germany)

^f EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^g BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^h UNIVERSITY OF CALGARY   (Canada)

Author keywords

Bond length; CBS; Complete basis set limit; Configuration interaction; GVB; MCSCF; MR AQCC; MR SDCI; Multiconfiguration self consistent field; Multiference; Re

Indexed keywords

EID: 44749090595     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.03.009     Document Type: Article

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