Molpro (LINUX, 32bit ATHLON)

 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 highlyaccurate computations, with extensive treatment of the electron correlation problem through the multiconfiguration-reference CI, coupled cluster and associated methods.

For further information and documentation see  Molpro WWW Server


last change 24.02.2011 | Math Admin | Print