Using a many-body technique to solve a one-body problem

ORAL

Abstract

The density matrix renormalisation group (DMRG) plays a central role in the study of correlated problems, in particular in one dimension. I will show how a simple partial differential equation - the Schrodinger equation in three dimension in presence of the electric potential created by a few nuclei - can be solved with arbitrary high resolution using DMRG. More generally, I will discuss how progress in learning algorithms for tensor networks build a bridge between these techniques and quantum Monte-Carlo approaches.

Publication: Tensorized orbitals for computational chemistry
Nicolas Jolly, Yuriel Núñez Fernández, Xavier Waintal
https://doi.org/10.48550/arXiv.2308.03508

Presenters

  • Xavier Waintal

    Université Grenoble Alpes, CEA, Grenoble INP, IRIG, Pheliqs, Grenoble Alpes University, CEA Pheliqs

Authors

  • Xavier Waintal

    Université Grenoble Alpes, CEA, Grenoble INP, IRIG, Pheliqs, Grenoble Alpes University, CEA Pheliqs

  • Yuriel Núñez Fernández

    Université Grenoble Alpes, CEA, Grenoble INP, IRIG, Pheliqs, Neel institute

  • Nicolas Jolly

    CEA Grenoble