English
Related papers

Related papers: Radial Kohn-Sham problem via integral-equation app…

200 papers

A nonlinear model representing the quantum harmonic oscillator on the three-dimensional spherical and hyperbolic spaces, $S_\k^3$ ($\kappa>0$) and $H_k^3$ ($\kappa<0$), is studied. The curvature $\k$ is considered as a parameter and then…

Mathematical Physics · Physics 2015-06-11 José F. Cariñena , Manuel F. Rañada , Mariano Santander

We provide a solution to the v-representability problem for a non-relativistic quantum many-particle system on a ring domain in terms of Sobolev spaces and their duals. Any one-particle density that is square-integrable, has a…

With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…

Chemical Physics · Physics 2020-04-03 William Dawson , Stephan Mohr , Laura E. Ratcliff , Takahito Nakajima , Luigi Genovese

We consider time-dependent Schr\"{o}dinger equations for a free nonrelativistic particle on the three-dimensional $q$-deformed Euclidean space. We determine plane wave solutions to these Schr\"{o}dinger equations and show that they form a…

Quantum Physics · Physics 2021-02-09 Hartmut Wachter

The paper deals with the existence of non-radial solutions for an $N$-coupled nonlinear elliptic system. In the repulsive regime with some structure conditions on the coupling and for each symmetric subspace of rotation symmetry, we prove…

Analysis of PDEs · Mathematics 2023-09-12 Xiaopeng Huang , Haoyu Li , Zhi-Qiang Wang

Exact bound state solutions and corresponding normalized eigenfunctions of the radial Schr\"odinger equation are studied for the pseudoharmonic and Mie-type potentials by using the Laplace transform approach. The analytical results are…

Mathematical Physics · Physics 2012-03-13 Altug Arda , Ramazan Sever

In this paper we analyze the existence of entire radially symmetric solutions for Schrodinger system type {\Delta}_{p_{i}}u_{i}+h_{i}(r)|\nabla u_{i}|^{p_{i}-1}=a_{i}(r)f_{i}(u_1,...,u_{d}) for i=1,...,d on R^{N} where p_{i}>1, d \in…

Classical Analysis and ODEs · Mathematics 2011-05-17 Dragos-Patru Covei

The construction of exact solutions for radiative transfer in a plane-parallel medium has been addressed by Hemsch and Ferziger in 1972 for a partial frequency redistribution model of the formation of spectral lines consisting in a linear…

Solar and Stellar Astrophysics · Physics 2024-10-31 Hélène Frisch

The standard way to calculate the Kohn-Sham orbitals utilizes an approximation of the potential. The approximation consists in a projection of the potential into a finite subspace of basis functions. The orbitals, calculated with the…

Computational Physics · Physics 2018-11-19 Rudolf Zeller

The many-body Coulomb repulsive energy of strictly correlated electrons provides direct information of the exact Hohenberg-Kohn exchange-correlation functional in the strong interaction limit. Until now the treatment of strictly correlated…

Chemical Physics · Physics 2013-03-13 Christian B. Mendl , Lin Lin

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

In the present paper we consider the problem of resonance line polarization formed in the spherically symmetric expanding atmospheres. For the solution of the concerned polarized transfer equation we use the comoving frame formulation, and…

Solar and Stellar Astrophysics · Physics 2020-01-20 A. Megha , M. Sampoorna , K. N. Nagendra , L. S. Anusha , K. Sankarasubramanian

Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Harold U. Baranger , Weitao Yang

We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multiconfiguration trial wavefunction. By applying the rigorous Kohn-Sham method to this case, we construct the proper interacting and…

Strongly Correlated Electrons · Physics 2008-12-08 Yair Kurzweil , M. Head-Gordon

Correlation functions of exactly solvable models can be described by differential equation [Barough, McCoy, Wu]. In this paper we show that for non free fermionic case differential equations should be replaced by integro-differential…

High Energy Physics - Theory · Physics 2016-09-06 T. Kojima , V. Korepin , N. Slavnov

We establish sharp pointwise kernel estimates and dispersive properties for the wave equation on noncompact symmetric spaces of general rank. This is achieved by combining the stationary phase method and the Hadamard parametrix, and in…

Analysis of PDEs · Mathematics 2024-10-24 Jean-Philippe Anker , Hong-Wei Zhang

For exchange-correlation functionals that depend explicitly on the Kohn-Sham orbitals, the potential $V_{\mathrm{xc}\sigma}(\re)$ must be obtained as the solution of the optimized effective potential (OEP) integral equation. This is very…

Materials Science · Physics 2009-11-07 Stephan Kümmel , John P. Perdew

In this work, a recently developed novel solution of the famous "Sommerfeld Radiation Problem" is revisited. The solution is based on an analysis performed entirely in the spectral domain, through which a compact asymptotic formula…

Signal Processing · Electrical Eng. & Systems 2020-04-14 Sotiris Bourgiotis , Panayiotis Frangos , Seil Sautbekov , Mustakhim Pshikov

The separated radial part of a sourceless massive complex scalar field equation on the Kerr-Newman black hole background is shown to be a generalized spin-weighted spheroidal wave equation of imaginary number order. While the separated…

General Relativity and Quantum Cosmology · Physics 2015-06-25 S. Q. Wu , X. Cai

An approximate analytical solution of the Thomas-Fermi equation for neutral atoms is obtained, using the Ritz variational method, which reproduces accurately the numerical solution, in the range $0\leq x\leq50$, and its derivative at $x=0$.…

Atomic Physics · Physics 2011-05-13 M. Oulne