MOLPRO

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:

Installed Copies:

NCSA: SGI Altix (Version - 2009.1)
NCSA: Intel 64 Linux Cluster (Version - 2009.1)