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Paper

High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit CI and parallel CI density

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Corresponding authors
a
Institute for Theoretical Chemistry and Structural Biology, Uniersity of Vienna, Währingerstrasse 17, Vienna, Austria
E-mail: Hans.Lischka@univie.ac.at
b
Theoretical Chemistry Group, Chemistry Diision, Argonne National Laboratory, Argonne, USA
E-mail: shepard.@tcg.anl.gov
c
Department of Chemistry, The Ohio State Uniersity, 100 West 18th Aenue, Columbus, USA
E-mail: pitzer@chemistry.ohio-state.edu, shavitt@chemistry.ohio-state.edu
d
Department of Chemistry, Uniersity of Illinois at Urbana-Champaign, Urbana, USA
e
Department of Theoretical Chemistry, Eötös Loránd Uniersity, P.O. Box 32, Budapest, Hungary
E-mail: szalay@para.chem.elte.hu
f
Department of Chemistry, Uniersity of Calgary, Uniersity Drie 2500, Calgary, Alberta, Canada
g
Department of Chemistry, Northwestern Uniersity, Eanston, USA
h
Department of Chemistry, Faculty of Science and Technology, Keio Uniersity, 3-14-1 Hyoshi, Kohoku-ku, Yokohama, Japan
i
Pacific Northwest National Laboratory, P.O. Box 999, Richland, USA
Phys. Chem. Chem. Phys., 2001,3, 664-673

DOI: 10.1039/B008063M
Received 05 Oct 2000, Accepted 31 Oct 2000
First published online 18 Dec 2000
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