Basic tutorial for all-electron calculations (HF, MP2, ...)
rybk... at gmail.com
Mon Jul 31 13:39:43 CEST 2017
I have added my MP2/RPA tutorial, which includes input files on the page of
the passed User Tutorial 2017.
You can find more examples - HF and MP2/RPA - in the exercises:
суббота, 22 июля 2017 г., 1:42:33 UTC+2 пользователь Christian Leitold
> 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?
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