[Pw_forum] binding energy

[ali kazempour]

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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