相关论文: Interparticle potential energy for D-dimensional e…

Commonly used semilocal density functional approximations for the exchange-correlation energy fail badly when the true two dimensional limit is approached. We show, using a quasi-two-dimensional uniform electron gas in the infinite barrier…

We extend a Gaussian model for the internal electrical potential of a two-dimensional Coulomb gas by a non-Gaussian measure term, which singles out the physically relevant configurations of the potential. The resulting Hamiltonian,…

The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic…

This paper presents an intuitive, geometrical derivation of the relativistic addition of velocities, and of the electromagnetic interaction between two uniformly moving charged particles, based on 2 spatial + 1 temporal dimensional…

We present a simple, yet general, end-to-end deep neural network representation of the potential energy surface for atomic and molecular systems. This methodology, which we call Deep Potential, is "first-principle" based, in the sense that…

The Lorentz-violating model proposed by Myers and Pospelov suffers from a higher-derivative pathology due to a dimension-5 operator. In particular, its electromagnetic sector exhibits an spectrum which contains, in addition to an expected…

The author suggests an approach based on the separation of total energy of multielectron systems into the semi-classical Coulomb part and the non-classical additional part. This approach allows on the one hand to simplify calculations and…

We find the numerically exact partition potential for 1-D systems of interacting electrons designed to model diatomic molecules. At integer fragment occupations, the kinetic contribution to the partition potential develops sharp features in…

We present a unified framework for studying Coulomb interactions in arbitrary environments using macroscopic quantum electrodynamics on the basis of the electromagnetic Green's function. Our theory can be used to derive the Coulomb…

From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…

We consider a pair of dipoles for which direct electrostatic dipole-dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us…

In this manuscript we provide a family of lower bounds on the indirect Coulomb energy for atomic and molecular systems in two dimensions in terms of a functional of the single particle density with gradient correction terms.

In a magnetic field two-dimensional (2d) electron systems host, with quenched kinetic energy, a variety of many-body correlation phenomena, such as interaction-driven new states and associated collective excitations over them. In a magnetic…

We consider a classical system of n charged particles in an external confining potential, in any dimension d larger than 2. The particles interact via pairwise repulsive Coulomb forces and the coupling parameter scales like the inverse of n…

We consider two-dimensional Coulomb gases on the Riemann sphere with determinantal or Pfaffian structures, under external potentials that are invariant under rotations around the axis connecting the north and south poles, and with…

The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhibits derivative discontinuities with respect to different…

A new model with a new Hamiltonian is offered as the means for studying properties of a system of strongly correlated electrons. Consideration of the simplest possible situation, namely a system on non-interacting electrons in a two-leg…

We present a quantum model to calculate the dipole-dipole coupling between electronic excitations in the conduction band of semiconductor quantum wells. We demonstrate that the coupling depends on a characteristic length, related to the…

The Dirac equation for an electron in two spatial dimensions in the Coulomb and homogeneous magnetic fields is discussed. For weak magnetic fields, the approximate energy values are obtained by semiclassical method. In the case with strong…

In electronic structure calculations, the correlation energy is defined as the difference between the mean field and the exact solution of the non relativistic Schr\"odinger equation. Such an error in the different calculations is not…