The Lagrange-mesh method is an approximate variational method taking the form of
equations on a grid thanks to the use of a Gauss-quadrature approximation. The variational …

In this article, we present an algorithm to efficiently evaluate the exchange matrix in periodic
systems when a Gaussian basis set with pseudopotentials is used. The usual algorithm for …

In this article, we study the helium atom confined in a spherical impenetrable cavity by using
informational measures. We use the Ritz variational method to obtain the energies and wave …

The Matsubara Green's function that is used to describe temperature-dependent behavior is
expressed on a numerical grid. While such a grid usually has a couple of hundred points for …

The Lagrange-mesh method is known to be an efficient tool for evaluating the bound states
of various three-body atomic and molecular systems. By combining it with the complex …

In order to find the spectrum associated with the one-dimensional Schrödinger equation, we
discuss the Lagrange Mesh Method (LMM) and its numerical implementation. After …

The effect of impenetrable confinement has been rigorously tested on the information-
theoretic measures of Shannon information entropy, Fisher measure, Onicescu energy, and …

In this contribution, we show electronic property results for the ground state of the helium
atom screened by a Debye plasma under an isotropic harmonic confinement as a function of …

In this work, for the lowest states with angular momentum, l= 0, 1, 2 the energies and
eigenfunctions of the endohedrals H@ C36 and H@ C60 are presented. The confining …

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