[Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals?

[Yavar Taghipour Azar]

Dear QE user

As mentioned in some text books (for eample, A Chemist’s Guide to Density 
Functional Theory);
The orbitals satisfying Kohn-Sham equation  have no physical significance 
and their only connection
to the real world is that the sum of their squares add up to the exact 
density.

by considering this, I cant understand physical relevance of isosurfaces 
which plotted in pw postprocess and
the real molecular orbitals (HOMO, LUMO, LUMO+1................).

thanks in advance

Yavar Taghipour Azar

Condensed Matter Section, AEOI

Tehran, Iran
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