Dear users
Does anyone knows that how possible is the computation of total energy of a
system with same total number of electron when we add a electron to the orbital
OR subtract electron from that orbital? I mean? how we? put for example 1
additional electron to the orbital d.
I want this to compute? U(hubbard)? from
U=E(dn+1) + E(dn1)-2E(dn)
thanks a lot
Ali Kazempour
Physics department, Isfahan University of Technology
84156 Isfahan, Iran. Tel-1: +98 311 391 3733
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
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