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Degenerate ground states Hohenberg-Kohn theorems

Theorem I (Mapping theorem) F(r) n(r). The ground state energy of a many-electron system is a universal functional of the ground state density, n(r), only for a non-degenerate ground state (Hohenberg and Kohn, (HK)). [Pg.176]

The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. This statement of the Hohenberg-Kohn theorem of Density Functional Theory plays an exceptionally important role among all the fundamental relations of Molecular Physics. [Pg.10]

As a consequence of the Hohenberg-Kohn theorem [14], a non-degenerate ground state electron density p(r) determines the Hamiltonian H of the system within an additive constant, implying that the electron density p(r) also determines all ground state and all excited state properties of the system. [Pg.67]

The density functional methods were, in the views of many, legitimized by the introduction of the first Hohenberg-Kohn theorem [10]. The consequence of this celebrated theorem is that for a non-degenerate ground state and a given external potential, v(r), the electronic ground state energy can be expressed as... [Pg.37]

The Hohenberg-Kohn theorem for degenerate ground states 47... [Pg.25]

THE HOHENBERG-KOHN THEOREM FOR DEGENERATE GROUND STATES... [Pg.47]

Hohenberg and Kohn proved their theorems only for nondegenerate ground states. Subsequently, Levy proved the theorems for degenerate ground states (see Parr and Yang, Sec. 3.4). [Pg.576]

A quite different approach is based on the Hohenberg-Kohn theorem, which states that the ground state energy of a (non-degenerate) many particle system in an external applied potential is a unique functional [ni of the density n(j. Furthermore, they proved that this universal functional S[n] has as its minimum value the correct ground state energy... [Pg.12]


See other pages where Degenerate ground states Hohenberg-Kohn theorems is mentioned: [Pg.50]    [Pg.55]    [Pg.115]    [Pg.254]    [Pg.33]    [Pg.38]    [Pg.450]    [Pg.131]    [Pg.31]    [Pg.48]    [Pg.389]    [Pg.670]    [Pg.22]    [Pg.28]    [Pg.96]    [Pg.358]    [Pg.232]   
See also in sourсe #XX -- [ Pg.47 ]




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Degenerate states

Ground state, degenerate

Hohenberg theorems

Hohenberg-Kohn

Hohenberg-Kohn theorem

Kohn

The Hohenberg-Kohn Theorem for Degenerate Ground States

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