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Equivalence of the electronic wave function and electron density

1 EQUIVALENCE OF THE ELECTRONIC WAVE FUNCTION AND ELECTRON DENSITY [Pg.579]

The ground-state electronic density po(r) and the ground-state wave funt tion 0 can be used alternatively as full descriptions of the ground state of the system. [Pg.579]

Walter Kohn (b. 1923), American physicist of the Austrian origin, professor at the University of California - Santa Barbara. His conviction about the primary role the electronic density plays, led him to fun-damerrtal theoretical discoveries. Kohn shared the Nobel Pri with John A. Pople in 1998, receiving it for Ns development of the density-functional theory . [Pg.579]

Lejeune-Dirichlet (1805-1859), German mathematician, professor at the universities in Berlin and Gottingen. Mis achievements are in number theory, infinite series, variational calculus and theory of potential. He is also notorious for designing the most strange function ever (discontinuous and nondiffer-entiable in every point) defined as f(x) taking the value [Pg.580]

The proof we carried out pertains only to the case when the external potential (everything except the interelectronic interaction) acting on the electrons stems, from the nuclei. The Hohenberg-Kohn theorem can be proved for an arbitrary external potential - this property of the density is called the v-representability. The arbitrariness mentioned above is necessary in order to define in future the functionals for more general densities (than for isolated molecules). We will need that generality when introducing the functional derivatives (p. 587) in which [Pg.580]


Equivalence of the electronic wave function and electron density... [Pg.567]




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And functional equivalencies

Density of electrons

Density waves

Electron density function

Electron density functionals

Electron density, and

Electron functionalization

Electron-density wave

Electronic density function

Electronic wave function

Equivalent electrons

Functionals of the electronic density

The Electron Density

The density

Waves electrons

Waves, The

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