鴻鵠國際為台灣地區官方合作廠商，並且可提供技術支援與收費的教育訓練。
Molpro is a complete system of ab initio programs for molecular electronic structure calculations, designed and maintained by H.J. Werner and P. J. Knowles, and containing contributions from a number of other authors. 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 multiconfigurationreference CI, coupled cluster and associated methods. The recently developed explicitly correlated coupledcluster methods yield CCSD(T) results with near basis set limit accuracy already with doubleζ or tripleζ basis sets, thus reducing the computational effort for calculations of this quality by two orders of magnitude. Using local electron correlation methods, which significantly reduce the increase of the computational cost with molecular size, accurateab initio calculations can be performed for much larger molecules than with most other programs. For more information click here.

