Related papers: On the Hartree-Fock Eigenvalue Problem
Efficient solution of the lowest eigenmodes is studied for a family of related eigenvalue problems with common $2\times 2$ block structure. It is assumed that the upper diagonal block varies between different versions while the lower…
We present explicit formulas for solutions to nonhomogeneous boundary value problems involving any positive power of the Laplacian in the half-space. For non-integer powers the operator becomes nonlocal and this requires a suitable…
The Hamilton-Jacobi equation on metric spaces has been studied by several authors; following the approach of Gangbo and Swiech, we show that the final value problem for the Hamilton-Jacobi equation has a unique solution even if we add a…
The coalescence and disappearance of Hartree--Fock (HF) solutions as the molecular structure varies have been a common source of criticism for the breakdown of the HF approximation to the potential energy surfaces. However, recent…
We adapt boundary deformation techniques to solve a Neumann problem for the Helmholtz equation with rough electric potentials in bounded domains. In particular, we study the dependance of Neumann eigenvalues of the perturbed Laplacian with…
In this paper, we study eigenvalues of the poly-Laplacian with arbitrary order on a bounded domain in an n-dimensional Euclidean space and obtain a lower bound for eigenvalues, which generalizes the results due to Cheng-Wei [5] and gives an…
A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…
By substituting the diagonal and the other two adjacent diagonals terms with two different functions depending on two parameters of the discrete Laplacian operator, the nature of its spectrum changes from being purely continuous to…
By replacing the spatial derivative with the Dunkl derivative, we generalize the Fokker-Planck equation in (1+1) dimensions. We obtain the Dunkl-Fokker-Planck eigenvalues equation and solve it for the harmonic oscillator plus a…
This paper introduces a method for computing eigenvalues and eigenvectors of a generalized Hermitian, matrix eigenvalue problem. The work is focused on large scale eigenvalue problems, where the application of a direct inverse is out of…
New numerical algorithms based on rational functions are introduced that can solve certain Laplace and Helmholtz problems on two-dimensional domains with corners faster and more accurately than the standard methods of finite elements and…
We present a rational filter for computing all eigenvalues of a symmetric definite eigenvalue problem lying in an interval on the real axis. The linear systems arising from the filter embedded in the subspace iteration framework, are solved…
An implementation of the Hartree-Fock (HF) method capable of robust convergence for well-behaved arbitrary central potentials is presented. The Hartree-Fock equations are converted to a generalized eigenvalue problem by employing a B-spline…
The multiconfigurational time-dependent Hartree-Fock equations are discussed and solved for a one-dimensional model of the Helium atom. Results for the ground state energy and two-particle density as well as the absorption spectrum are…
We derive various eigenvalue estimates for the Hodge Laplacian acting on differential forms on weighted Riemannian manifolds. Our estimates unify and extend various results from the literature and we provide a number of geometric…
We consider an analytic way to make the interacting N-body problem tractable by using harmonic oscillators in place of the relevant two-body interactions. The two body terms of the N-body Hamiltonian are approximated by considering the…
The accurate computation of eigenfunctions corresponding to tightly clustered Laplacian eigenvalues remains an extremely difficult problem. In this paper, using the shape difference quotient of eigenvalues, we propose a stable computation…
In this paper we numerically solve the eigenvalue problem $\Delta u + \lambda u = 0$ on the fractal region defined by the Koch Snowflake, with zero-Dirichlet or zero-Neumann boundary conditions. The Laplacian with boundary conditions is…
The one-dimensional harmonic oscillator wave functions are solutions to a Sturm-Liouville problem posed on the whole real line. This problem generates the Hermite polynomials. However, no other set of orthogonal polynomials can be obtained…
In quasi-exactly solvable problems partial analytic solution (energy spectrum and associated wavefunctions) are obtained if some potential parameters are assigned specific values. We introduce a new class in which exact solutions are…