Collect. Czech. Chem. Commun.
2003, 68, 447-462
https://doi.org/10.1135/cccc20030447
MR-CISD and MR-AQCC Calculation of Excited States of Malonaldehyde: Geometry Optimizations Using Analytical Energy Gradient Methods and a Systematic Investigation of Reference Configuration Sets
Silmar A. do Montea,*, Michal Dallosa, Thomas Müllerb and Hans Lischkaa,*
a Institute for Theoretical Chemistry and Structural Biology, University of Vienna, Währingerstrasse 17, A-1090, Austria
b Central Institute for Applied Mathematics, Research Centre Juelich, D-52425 Juelich, Germany
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