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INSTALLED SOFTWARE DESCRIPTION

MOLPRO

General Information

Short Description: Molecular electronic ab initio prgms

Long Description:
MOLPRO is a complete system of ab initio programs for molecular electronic structure calculations with extensive treatment of the electron correlation problem through the multiconfiguration-reference CI, coupled cluster and associated methods.

Category: Applications - Scientific and Engineering: Chemical Engineering
Applications - Scientific and Engineering: Computational Chemistry

Vendor/Developer: P.J. Knowles and H.-J. Werner

Vendor Website: http://www.tc.bham.ac.uk/molpro/

Software Website: http://www.tc.bham.ac.uk/molpro/molpro 2002.1/molpro_manual

Programming Language:

Terms of Use: