MOLCAS: a Program Package for Computational Chemistry

Gunnar Karlström^a, Roland Lindh^a, Per-Åke Malmqvist^a, Björn O. Roos^,^,^a, Ulf Ryde^a, Valera Veryazov^a, Per-Olof Widmark^a, Maurizio Cossi^b, Bernd Schimmelpfennig^c, Pavel Neogrady^d, Luis Seijo^e

^aDepartment of Theoretical Chemistry, Chemical Center P.O.B. 124, S-221 00 Lund, Sweden
^bDepartment of Chemistry, University ``Federico II'', Monte S. Angelo, via Cintia, I-80126 Napoli, Italy
^cStockholm University, AlbaNova University Center, Department of Quantum Chemistry, SE-106 91 Stockholm, Sweden
^dComenius University, Department of Physical and Theoretical Chemistry, Mlynska dolina, SK - 84215 Bratislava, Slovakia
^eDepartamento de Química and Instituto de Ciencia de Materiales Nicolás Cabrera, Universidad Autónoma de Madrid, 28049 Madrid, Spain

Abstract

Author Keywords: MOLCAS, Computational Chemistry, Wave functions, Molecular Structure, Spectroscopy

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