Subject: CCL: UHF vs. ROHF ???

From: "art'" <[email-masked]>
Date: Thu, 16 Nov 2000 03:27:03 -0800

Hello CCL'ers,

Can anyone say something about the difference of UHF and ROHF theory, when I want
to examine electronic structure of compound. In my opinion, ROHF is better to
produce MO energies.

But, is there any differences between UHF and ROHF when we are talking about the
distribution of MO (e.g. HOMO) over the whole molecule? If Yes, then what they are
?

Thank you all in advance. The answers will be summarized on CCL.

A.Ziemys