Related papers: On the Hartree-Fock Eigenvalue Problem
The inverse problem of estimating dielectric constants of explosives using boundary measurements of one component of the scattered electric field is addressed. It is formulated as a coefficient inverse problem for a hyperbolic differential…
We characterize harmonic spaces in terms of the dimensions of various spaces of radial eigen-spaces of the Laplacian $\Delta^0$ on functions and the Laplacian $\Delta^1$ on 1-forms. We examine the nature of the singularity as the geodesic…
It is well known that the real and imaginary parts of any holomorphic function are harmonic functions of two variables. In this paper we generalize this property to finite-dimensional commutative algebras. We prove that if some basis of a…
We show that there is an one-to-one correspondence between solutions to the Poisson-Landscape equations and the reduced Hartree-Fock equations in the semi-classical limit at low temperature. Moreover, we prove that the difference between…
We consider a finite element method for elliptic equation with heterogeneous and possibly high-contrast coefficients based on primal hybrid formulation. A space decomposition as in FETI and BDCC allows a sequential computations of the…
The Hartree-Fock exchange operator is an integral operator arising in the Hartree-Fock method and replaced by a multiplicative operator (a local potential) in Kohn-Sham density functional theory. This article presents a detailed analysis of…
We consider the minimization or maximization of the $J$th largest eigenvalue of an analytic and Hermitian matrix-valued function, and build on Mengi et al. (2014, SIAM J. Matrix Anal. Appl., 35, 699-724). This work addresses the setting…
The one-particle three-dimensional Dirac equation with spherical symmetry is solved for the Hulthen potential. The s-wave relativistic energy spectrum and two-component spinor wavefunctions are obtained analytically. Conforming to the…
A geometric interpretation is given for certain elliptic-hyperbolic systems in the plane. Among several examples, one which reduces in the elliptic region to the equations for harmonic 1-forms on the projective disc is studied in detail. A…
By developing the method of multipliers, we establish sufficient conditions which guarantee the total absence of eigenvalues of the Laplacian in the half-space, subject to variable complex Robin boundary conditions. As a further application…
In this paper we present an iterative method, inspired by the inverse iteration with shift technique of finite linear algebra, designed to find the eigenvalues and eigenfunctions of the Laplacian with homogeneous Dirichlet boundary…
In this paper we study eigenvalues of the closed eigenvalue problem of the Witten-Laplacian on an $n$-dimensional compact Riemannian manifold. Estimates for eigenvalues are given. As applications, we give a sharp upper bound for the…
We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan equations where the one- and two-electron radial integrals are evaluated numerically by defining the basis functions on a grid. This procedure reduces the…
We describe the new version (v3.06h) of the code HFODD that solves the universal nonrelativistic nuclear DFT Hartree-Fock or Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we…
In this paper we study the $(2+1)$-dimensional Dirac-Dunkl oscillator coupled to an external magnetic field. Our Hamiltonian is obtained from the standard Dirac oscillator coupled to an external magnetic field by changing the partial…
We consider the Dirac equation with a generalized uncertainty principle in the presence of the Harmonic interaction and an external magnetic field. By doing the study in the momentum space, the problem solved in an exact analytical manner…
We revisit a Harnack inequality for antisymmetric functions that has been recently established for the fractional Laplacian and we extend it to more general nonlocal elliptic operators. The new approach to deal with these problems that we…
The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…
A unified theory of orthogonal polynomials of a discrete variable is presented through the eigenvalue problem of hermitian matrices of finite or infinite dimensions. It can be considered as a matrix version of exactly solvable Schr\"odinger…
In this note, we study the asymptotic behavior of eigenvalues and eigenfunctions of the regional fractional Laplacian $(-\Delta)^s$ as $ s \to 0^+$. Our analysis leads to a study of the regional logarithmic Laplacian, which arises as a…