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From the density functional theory to the single-particle green function

Viktor Borisovich Bobrov

Indian Journal of PhysicsFeb 8, 20162 citations

Calculations of single particle spectra in density functional theory

M. Ya. Amusia, Vasily R. Shaginyan

arXiv:cond-mat/0004409Physics Letters AMay 1, 20008 citations

Density functional theory of one-dimensional two-particle systems

H. L. Neal

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.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.

American Journal of PhysicsJun 1, 199818 citations

Construction of the exact exchange potential of density-functional theory

Vasily R. Shaginyan

The exact expression for the exchange potential of density-functional theory is obtained. This expression involves the inverse of the linear-response function as well as the single-particle Green's function. The consideration is valid for any interparticle interaction.

Physical Review AFeb 1, 199323 citations

Modern Density Functional Theory

Viraht Sahni

Springer tracts in modern physicsJan 1, 202247 citations

NEW APPROACH TO DENSITY FUNCTIONAL THEORY AND DESCRIPTION OF SPECTRA OF FINITE ELECTRON SYSTEMS

M. Ya. Amusia, ALFRED Z. MSEZANE, Vasily R. Shaginyan

The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from which one can construct the action functional, density functional, the response functions, and excitation spectra of the considered systems, is outlined. In the context of the density functional theory we consider the single particle excitation spectra of electron systems and relate the single particle spectrum to the eigenvalues of the corresponding Kohn-Sham equations. We find that the single particle spectrum coincides neither with the eigenvalues of the Kohn-Sham equations nor with those of the Hartree-Fock equations.The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from which one can construct the action functional, density functional, the response functions, and excitation spectra of the considered systems, is outlined. In the context of the density functional theory we consider the single particle excitation spectra of electron systems and relate the single particle spectrum to the eigenvalues of the corresponding Kohn-Sham equations. We find that the single particle spectrum coincides neither with the eigenvalues of the Kohn-Sham equations nor with those of the Hartree-Fock equations.

arXiv:cond-mat/0312162IMPERIAL COLLEGE PRESS eBooksNov 1, 20040 citations

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