Low-rank eigenvalue solvers for block-sparse matrix product states

Abstract

We consider an iterative eigensolver for Schr\"odinger equations that constructs low-rank approximations of eigenfunctions with accuracy-adapted ranks, with particular focus on fermionic Schr\"odinger equations in second-quantized form and on matrix product state approximations enforcing particle number conservation. We provide a complete analysis of a solver based on preconditioned inverse iteration combined with rank truncation and propose a generalization to subspace iteration for the joint approximation of several eigenspaces. The practical performance of the method is illustrated by numerical tests for several model problems.