Supercomputer Facility

MOLPRO 2000

 

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MOLPRO is a complete system of ab initio programs for molecular electronic structure calculations. As distinct from other commonly used quantum chemistry packages, the emphasis is on highly accurate computations, with extensive treatment of the electron correlation problem through the multiconfiguration-reference CI, coupled cluster and associated methods.

For information on running MOLPRO jobs, see the supercomputer facility help pages.

For more information about MOLPRO 2000, see the MOLPRO home page.