[Wien] Comparison of KS orbitals & HF

[L. D. Marks]

Does anyone know of any good references comparing the
Kohn-Sham orbitals from WIEN2K and Hartree-Fock (configurational
or multiconfigurational interaction). Of course they do
not need to be the same, although it appears that for
the core states they are very similar.


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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:ldm at risc4.numis.northwestern.edu
http://www.numis.northwestern.edu
Nanocrystallography Workshop, http://ncem.lbl.gov/workshop.htm
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