This repository started as my Bachelorthesis in theoretical Chemistry and developed further. A Python Programm with Hartree-Fock(RHF,UHF,ROHF) Pertubation-Theory(MP2,MP3) and Coupled Cluster(CCD) is already done. Currently I am working on a Julia Programm in Multireference-Theory(CI,MCSCF).
DJDDDM/Bachelorthesis
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Bachelorthesis and beyond in theoretical Chemistry
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