Molpro 2012.1 cygwin serial x86 - Full Version


Description
Molpro is a software package for accurate quantum chemical calculations from first principles. The emphasis in this program is placed on high accuracy and advanced processing of the electron correlation problem through multi-reference interaction of configurations, related clusters and related methods. Direct integration in local electron correlation methods reduces the computational cost, which increases with the size of molecules. Accurate calculations from first principles can also be carried out for large molecules. With new exact correlated methods, the limiting basis set can be very closely matched.

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