Re: state averaging in RASSCF

Posted by B. Roos on November 03, 1999 at 13:21:06:

In Reply to: Re: state averaging in RASSCF posted by Luis Seijo on September 27, 1999 at 11:43:33:

This is an old problem that has never been fixed.
So, it is correct that delta orbitals cannot be
averaged for linear molecules. If someone is
interested to fix this, it would be welcomed
(also phi, etc...).

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• Re: state averaging in RASSCF Luis Seijo 01:16:24 11/18/99 (0) 133.48.157.210

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: This is an old problem that has never been fixed. : So, it is correct that delta orbitals cannot be : averaged for linear molecules. If someone is : interested to fix this, it would be welcomed : (also phi, etc...).