Basic tutorial for all-electron calculations (HF, MP2, ...)

Christian Leitold christia... at gmail.com
Fri Jul 21 23:42:33 UTC 2017


Hi,

I am new in the field of electronic calculations, and I am looking for some 
basic tutorials. In particular, right now I am interested in doing HF and 
MP2 calculations for simple molecules in the gas phase, no PBCs, and no 
DFT. The tutorials I could find so far look really good, but I could only 
find them for DFT calculations. Could you maybe point me to some examples 
of Hartree-Fock-only calculations?

Thanks,
Christian
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