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We develop an approximate second quantization method for describing the many-particle systems in the presence of bound states of particles at low energies (the kinetic energy of particles is small in comparison to the binding energy of…

Quantum Physics · Physics 2015-06-26 Sergey V. Peletminskii , Yuriy V. Slyusarenko

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Materials Science · Physics 2007-05-23 Werner A. Hofer , Krisztian Palotas

Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that,…

Statistical Mechanics · Physics 2012-01-17 V. B. Bobrov , S. A. Trigger

We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…

Atomic Physics · Physics 2010-06-24 Subhajit Waugh , Avijit Chowdhury , Arup Banerjee

Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…

Chemical Physics · Physics 2020-10-28 Andreas Savin

Properly regularized second-order degenerate perturbation theory is applied to compute the contribution of higher Landau levels to the low-energy spectrum of interacting electrons in a disk-shaped quantum dot. At ``filling factor'' near…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Augusto Gonzalez , Juan David Serna , Roberto Capote , Guillermo Avendaño

We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…

Strongly Correlated Electrons · Physics 2015-05-13 Paola Gori-Giorgi , Michael Seidl , G. Vignale

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…

Strongly Correlated Electrons · Physics 2009-02-25 S. Pittalis , E. Rasanen , C. Proetto , E. K. U. Gross

An analysis shows that the ground state of the inhomogeneous system of interacting electrons in the static external field, which satisfies the thermodynamic limit, can be consistently described only using the Green function theory based on…

Statistical Mechanics · Physics 2014-09-02 V. B. Bobrov

Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…

Chemical Physics · Physics 2019-07-10 Tim Gould , Stefano Pittalis

We present an effective theory describing the low-energy properties of an interacting 2D electron gas at large non-integer filling factors $\nu\gg 1$. Assuming that the interaction is sufficiently weak, $r_s < 1$, we integrate out all the…

Condensed Matter · Physics 2009-10-28 I. L. Aleiner , L. I. Glazman

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

Two- and three-dimensional electron gases with a uniform neutralizing background are studied at negative compressibility. Parametrized expressions for the dielectric function are used to access this strong-coupling regime, where the…

Condensed Matter · Physics 2009-11-07 Adriaan M. J. Schakel

Electron transfer with changing occupation in the 4f subshell poses a considerable challenge for quantitative predictions in quantum chemistry. Using the example of cerium oxide, we identify the main deficiencies of common…

Chemical Physics · Physics 2021-12-07 Tobias Schäfer , Nathan Daelman , Núria López

Short-range corrections to long-range selected configuration interaction calculations are derived from perturbation theory considerations and applied to harmonium (with two to six electrons for some low-lying states). No fitting to…

Chemical Physics · Physics 2024-07-19 Anthony Scemama , Andreas Savin

Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…

Atomic Physics · Physics 2009-11-07 Charles Schwartz

We treat a system (a molecule or a solid) in which electrons are coupled linearly to any number and type of harmonic oscillators and which is further subject to external forces of arbitrary symmetry. With the treatment restricted to the…

Other Condensed Matter · Physics 2009-11-10 Robert Englman , Asher Yahalom

Weak limits as the density tends to infinity of classical ground states of integrable pair potentials are shown to minimize the mean-field energy functional. By studying the latter we derive global properties of high-density ground state…

Other Condensed Matter · Physics 2015-03-17 Andras Suto

A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…

Chemical Physics · Physics 2024-05-03 Alexander V. Mironenko

Electron-electron correlation forms the basis of difficulties encountered in many-body physics. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in the correlation. In an…

Atomic Physics · Physics 2021-03-17 E. Jobunga
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