17 citations · 121 across the 30 of their papers we have counts for
6 papers · 1 filter
Surrogate models for quantum spin systems based on reduced order modeling
Michael F. Herbst, Stefan Wessel, Matteo Rizzi +1
We present a methodology to investigate phase-diagrams of quantum models based on the principle of the reduced basis method (RBM). The RBM is built from a few ground-state snapshot…
A Quasi-Optimal Factorization Preconditioner for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains
Benjamin Stamm, Lambert Theisen
This paper provides a provably quasi-optimal preconditioning strategy of the linear Schrödinger eigenvalue problem with periodic potentials for a possibly non-uniform spatial expan…
Multi-center decomposition of molecular densities: a mathematical perspective
Robert Benda, Eric Cancès, Virginie Ehrlacher +1
The aim of this paper is to analyze from a mathematical perspective some existing schemes to partition a molecular density into several atomic contributions, with a specific focus…
Continuity estimates for Riesz potentials on polygonal boundaries
Xavier Claeys, Muhammad Hassan, Benjamin Stamm
Riesz potentials are well known objects of study in the theory of singular integrals that have been the subject of recent, increased interest from the numerical analysis community…
Grassmann extrapolation of density matrices for Born-Oppenheimer molecular dynamics
Etienne Polack, Geneviève Dusson, Benjamin Stamm +1
Born-Oppenheimer Molecular Dynamics (BOMD) is a powerful but expensive technique. The main bottleneck in a density functional theory bomd calculation is the solution to the Kohn-Sh…
The Feshbach-Schur map and perturbation theory
Geneviève Dusson, Israel Sigal, Benjamin Stamm
This paper deals with perturbation theory for discrete spectra of linear operators. To simplify exposition we consider here self-adjoint operators. This theory is based on the Fesh…