Related papers: Equation satisfied by electron-electron mutual Cou…
We have analyzed Coulomb drag between currents of interacting electrons in two parallel one-dimensional conductors of finite length $L$ attached to external reservoirs. For strong coupling, the relative fluctuations of electron density in…
The Maxwell's electromagnetic equations are isomorphic to the motion equation of a linear elastic continuum which is hard to compression though liable to shear deformation. The Coulomb gauge expresses the medium incompressibility. The…
Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation functionals that produce even…
Using a generalized response theory we derive the electronic Raman response function for metals with anisotropic relaxation rates. The calculations account for the long--range Coulomb interaction and treat the collision operator within a…
A rigorous derivation of the density functional via the effective action in the Hohenberg-Kohn theory is outlined. Using the auxiliary field method, in which the electric coupling constant $e^2$ need not be small, we show that the loop…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
We study Coulomb drag between the top and bottom surfaces of topological insulator films. We derive a kinetic equation for the thin-film spin density matrix containing the full spin structure of the two-layer system, and analyze the…
A relativistic density-functional theory based on a Fock-space effective quantum-electrodynamics (QED) Hamiltonian using the Coulomb or Coulomb-Breit two-particle interaction is developed. This effective QED theory properly includes the…
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…
We study the $D$-dimensional high-density correlation energy $\Ec$ of the singlet ground state of two electrons confined by a harmonic potential with Coulombic repulsion. We allow the harmonic potential to be anisotropic, and examine the…
In practical implementations of density-functional theory, the only term where an orbital description is needed is the kinetic one. Even this term in principle depends on the density only, but its explicit form is unknown. We provide a…
It is pointed out that the derivative of the energy density functional does not provide a valid local electronegativity measure, in spite of its appealing property of becoming constant for ground-state equilibrium systems.
Using an end-to-end differentiable implementation of the Kohn-Sham self-consistent field equations, we obtain an accurate neural network-based exchange and correlation (XC) functional of the electronic density. The functional is optimized…
Density functional theory is the standard theory for computing the electronic structure of materials, which is based on a functional that maps the electron density to the energy. However, a rigorous form of the functional is not known and…
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value.…
We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density…
Density functional approximations to the exchange-correlation energy of Kohn-Sham theory, such as the local density approximation and generalized gradient approximations, lack the well-known integer discontinuity, a feature that is critical…
Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…
We show that the non-relativistic theory of mutual coherence and localization in Coulomb-disordered media can be extended to relativistic electron beams used in transmission electron microscopy (TEM). Starting from the Dirac equation, we…
It is shown that the Coulomb correlation problem for a system of two electrons (two charged particles) in an external oscillator potential possesses a hidden $sl_2$-algebraic structure being one of recently-discovered quasi-exactly-solvable…