[Wien] Two-electron integrals

Yu. Kudasov kudasov at sar.ru
Fri Nov 23 12:25:37 CET 2007


Dear Wien2k users,

Is it possible to evaluate two-electron charge transfer integrals
(or tight-binding parameters) using Wien2k?
I am trying to investigate an indirect exchange in magnetic substances
with Wien2k. The effective U (Coulomb repulsion) can be find following
K. H. Madsen and Pavel Novak (Europhys. Lett. 69, 777 (2005)). In
addition, if we know the two-electron integrals we can calculate the
indirect exchange constants.

-- 
Best regards,
 Yu. B. Kudasov                         mailto:kudasov at sar.ru



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