Dear all
?I have one question :
I don,t know how LDA underestimate the binding energy of 3d state in ZnO that
give rise to overestimation of hybridization with p orbitals. Does it means
that? (like most cases) LDA? gives stronger bond between Zn and O atom.
Thanks? alot
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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