How to find the active orbitals for an ORCA CASSCF calculation on a porphyrin

Описание к видео How to find the active orbitals for an ORCA CASSCF calculation on a porphyrin

In this video I show how to start a CASSCF calculation on a cobalt(II) porphyrin from a previous DFT calculation and find and rotate the metal orbitals into the active space. Sometimes it takes more than one step but it can be achieved!

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