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Lecture notes series, Institute For Mathematical Sciences

Density Functionals for Many-Particle Systems

Berthold‐Georg Englert, Heinz K. H. Siedentop, Martin-Isbjörn Trappe

Published Dec 11, 2022• 6 citations
Publisher
DOI
10.1142/13303

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We consider the density functional theory from the point of view of one-dimensional two-particle systems, where the particles are either spin-1/2 fermions or spin-0 bosons. The basic equations are derived and applied to the system of two coupled harmonic oscillators. An exact density functional solution is constructed from the exactly known single-particle density for this system. We demonstrate how this solution may be applied to other two-particle systems to calculate the exact single-particle density and energy.
By introducing a phase field and solving the eigen-functional equation of particles, we obtain the exact expressions of the ground state energy as a functional of the particle density for interacting electron/boson systems, and a two-dimensional electron gas under an external magnetic field, respectively. With the eigen-functionals of the particles, we can construct the ground state wave-function of the systems. Moreover, with the expressions of the ground state energy, we can exactly determine the ground state energy and the ground state particle density of the systems by taking % δE_g[ρ]/δρ(x)=0.
Abstract In quantum mechanics a particle is represented by a complex wave function. This is similar to the classical description of a distributed particle by a real valued density function. However, while classically the combined density of multiple particles can be decomposed into individual densities; the wave function of a multi-particle system can not always be decomposed into wave functions for the individual particles. Hence the classical assumption that density is a property of physical space, which is only possible because of the special topology of classical configuration space, does not work for quantum systems.