Subject: (1) Xalpha method (2)current DFT

From: elewars <[email-masked]>
Date: Mon, 12 Jun 2000 17:39:56 -0400

Monday 2000 June 12

Hello,

the Xalpha method, developed by John slater (1951) mainly for solids and
atoms, and used till at least the early 1970's , was perhaps the first
really useful DFT method. For molecules it has now been replaced by
Kohn-Sham-based approaches to DFT.

(1) Is the Xalpha method still used for solids/crystals (e.g. by
solid-state physicists?). If not, what replaced it?
(2) In modern molecular DFT, probably the most popular method is
B3LYP/6-31G*. What seems to be the second most widely-used?

Thanks
E. Lewars
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