[Wien] I need help in alpha parameter selecting in EECE method.
Hamid Abbaszadeh Peivasti
abbaszadeh at physics.sharif.edu
Tue Feb 5 11:13:12 CET 2008
Dear wien2k usres;
I am studying in a system by 4f electron and I need to use "exact electron
for correlated electrons" method (EECE). There is a alpha parameter in
hybrid function, e.g. E_{xc} = E^{LDA} + alpha ( E^{HF} - E^{LDA} ). In a
few references introduced methods to find aphla , using Levy-Gonring
perturbations. Please guide me in working with this method.
Thanks
--
Hamid Abbaszadeh
Tel: +98(411)4209243
Mobile: +98(914)4132419
Address: Sardroud-Tabriz-IRAN
53618-11398
e-mail: abbaszadeh.h at gmail.com
abbaszadeh at physics.sharif.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080205/f5437699/attachment.html
More information about the Wien
mailing list