[Wien] how to take off d-orbitals from the wavefunction?
Martin Gmitra
martin.gmitra at gmail.com
Tue Dec 2 17:18:23 CET 2008
Dear Wien users,
We would like to check how d-orbitals influence spin orbit effects. How one
can
switch off d-character (do not consider d-orbitals in wavefunction
expansion) of
the wavefunction?
Best,
Martin Gmitra
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