Subject: HF and optical properties

From: Victor Milman <vmilman(at)accelrys.com>
Date: Tue, 27 May 2003 12:56:15 +0100

Dear All,

I would be grateful if you could give me some pointers - I am
looking for the formalism that is used for the calculation of
the optical matrix elements at the HF level. People in the
solid state DFT world have long been doing optics, and found the
way of treating nonlocality of the external (pseudo)potential.
As far as I know, solid state HF (CRYSTAL code) does not do optics.
What about molecular QC codes: is there any problem in getting
optical properties at the HF level? Is this written up anywhere?

Thanks!
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Victor Milman             * Fellow
Accelrys Inc              * tel: (01223) 228500/228619
334 Science Park          * fax: (01223) 228501
Cambridge CB4 0WN         * tel. from abroad: +44 1223 228500
UK                        * e-mail: vmilman(at)accelrys.com
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