include some lumo orbitals in OT during SCF

Jun chen... at gmail.com
Wed Jun 30 17:42:48 CEST 2010


Hi all,

I understand one can get lumo orbitals in some 'post-processing' way.
Is it possible to include some lumo orbitals in OT during SCF so that
lumo orbitals are directly accessible without post-processing? Many
thanks in advance.

Regards,
Jun


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