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searching for MOLPRO 2 found (22 total)

alternate case: mOLPRO

N-electron valence state perturbation theory (2,992 words) [view diff] case mismatch in snippet view article find links to article

directly integrated into many quantum chemistry packages such as MOLCAS, Molpro, DALTON, PySCF and ORCA. The research performed into the development of

Mixed quantum-classical dynamics (1,862 words) [view diff] case mismatch in snippet view article find links to article

CASSCF AIMS Gpawa RT-TDKS MFE ChemShella MRCI/OMx FSSH Molcas SA-CASSCF FSSH Molpro CASSCF, MS-CASPT2 AIMS Mopaca FOMO-CI FSSH and AIMS (IC and ISC) Octopus