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MOLCAS

MOLCAS
Molcas logo300.jpg
Developer(s) Lund University
Stable release
8.0 / June 2014
Operating system Linux, Unix and like operating systems, Microsoft Windows, Mac OS X
Type Computational Chemistry
License Proprietary
Website www.molcas.org

MOLCAS is an ab initio computational chemistry program, developed as a joint project by a number of international institutes. Focus in the program is placed on methods for calculating general electronic structures in molecular systems in both ground and excited states. The binaries of the package are distributed free of charge to academic users (see external links below).


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Wikipedia

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