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Kohn-Sham Non-interacting System

Although we can search over all antisymmetric N-electron wavefunctions in (1.59), the minimizing wavefunction for a given density will be a noninteracting wavefunction (a single Slater determinant or a linear combination of a few) for some external potential such that [Pg.13]

Thus we have derived the Kohn-Sham method [6] of Sect. 1.1.2. [Pg.14]

The Kohn-Sham method treats Ts[ ] exactly, leaving only to be [Pg.14]


See other pages where Kohn-Sham Non-interacting System is mentioned: [Pg.35]    [Pg.13]   


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Interacting system

Interaction system

Kohn

Kohn-Sham

Kohn-Sham system

Non-interacting

Non-interacting system

Shams

The Kohn-Sham system of non-interacting electrons

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