Subject: RE IS DFT AB INITIO?

From: "E. Lewars" <[email-masked]>
Date: Mon, 15 May 1995 18:27:43 -0400

Those interested in this question may want to think about the remarks in
*Quantum Chemistry* by Ira N. Levine (4th ed., 1991), p 525:
"Because density functional calculations do not use the exact E(XC) and 
V(XC) [in the Kohn-Sham eqs on p 521 & 522] they are not, strictly speaking,
ab initio calculations.  However, they do not use parameters fitted to 
experimental data, as do ...semiempirical methods..., and so are closer in
spirit to ab initio calculations than to semiempirical ones."
Errol Lewars
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