We extend the conforming virtual element method (VEM) to the numerical resolution of eigenvalue problems with potential terms on a polytopic mesh. An important application is that of the Schrödinger equation with a pseudopotential term. This model is a fundamental element in the numerical resolution of more complex problems from the Density Functional Theory. The VEM is based on the construction of the discrete bilinear forms of the variational formulation through certain polynomial projection operators that are directly computable from the degrees of freedom. The method shows a great flexibility with respect to the meshes and provides a correct spectral approximation with optimal convergence rates. This point is discussed from both the theoretical and the numerical viewpoint. The performance of the method is numerically investigated by solving the quantum harmonic oscillator problem with the harmonic potential and a singular eigenvalue problem with zero potential for the first eigenvalues.

Čertík, O., Gardini, F., Manzini, G., Vacca, G. (2018). The Virtual Element Method for Eigenvalue Problems with Potential Terms on Polytopic Meshes. APPLICATIONS OF MATHEMATICS, 63(3), 333-365 [10.21136/AM.2018.0093-18].

The Virtual Element Method for Eigenvalue Problems with Potential Terms on Polytopic Meshes

Vacca, G
2018

Abstract

We extend the conforming virtual element method (VEM) to the numerical resolution of eigenvalue problems with potential terms on a polytopic mesh. An important application is that of the Schrödinger equation with a pseudopotential term. This model is a fundamental element in the numerical resolution of more complex problems from the Density Functional Theory. The VEM is based on the construction of the discrete bilinear forms of the variational formulation through certain polynomial projection operators that are directly computable from the degrees of freedom. The method shows a great flexibility with respect to the meshes and provides a correct spectral approximation with optimal convergence rates. This point is discussed from both the theoretical and the numerical viewpoint. The performance of the method is numerically investigated by solving the quantum harmonic oscillator problem with the harmonic potential and a singular eigenvalue problem with zero potential for the first eigenvalues.
Articolo in rivista - Articolo scientifico
65L15; 65L60; 65L70; conforming virtual element; eigenvalue problem; Hamiltonian equation; polygonal mesh; Applied Mathematics
English
2018
63
3
333
365
none
Čertík, O., Gardini, F., Manzini, G., Vacca, G. (2018). The Virtual Element Method for Eigenvalue Problems with Potential Terms on Polytopic Meshes. APPLICATIONS OF MATHEMATICS, 63(3), 333-365 [10.21136/AM.2018.0093-18].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/219128
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