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The First Hohenberg-Kohn Theorem Proof of Existence

1 The First Hohenberg-Kohn Theorem Proof of Existence [Pg.33]

Therefore F and TU respectively, are different, and we can use as trial wave function for H We must then have by virtue of the variational principle [Pg.34]

Interchanging the unprimed with the primed quantities and repeating the above steps of equations (4-1) to (4-3) we arrive at the corresponding equation [Pg.34]

After adding equations (4-3) and (4-4), this leaves us with the clear contradiction [Pg.34]

This concludes the proof that there cannot be two different Vext that yield the same ground state electron density, or, in other words, that the ground state density uniquely specifies the external potential Vext. Using again the terminology of Section 1.2 we can simply add p0 as the property which contains the information about N, ZA, RA and summarize this as [Pg.34]




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Hohenberg-Kohn

Hohenberg-Kohn theorem

Hohenberg-Kohn “existence theorems

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Proofing

THE THEOREM

The Hohenberg-Kohn Existence Theorem

The Hohenberg-Kohn Theorem

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