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arXiv:2202.07493 · Physical Review C

Fundamental limitations of the eigenvalue continuation approach

Tomasz Sowiński, Miguel Ángel García-March

Published Aug 18, 2022• 3 citations
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Abstract

In this work, we show that the eigenvalue continuation approach introduced recently by Frame et al. [Phys. Rev. Lett. 121, 032501 (2018)], despite its many advantages, has some fundamental limitations which cannot be overcome when strongly correlated many-body systems are considered. Taking as a working example a very simple system of several fermionic particles confined in a harmonic trap we show that the eigenvector continuation is not able to go beyond the accuracy of the sampling states. We support this observation within a very simple three-level model capturing directly this obstacle. Since mentioned inaccuracy cannot be determined self-consistently within the eigenvalue continuation approach, support from other complementary methods is needed.

DOI
10.1103/physrevc.106.024002

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In this work, we show that the eigenvalue continuation approach introduced recently by Frame et al. [Phys. Rev. Lett. 121, 032501 (2018)], despite its many advantages, has some fundamental limitations which cannot be overcome when strongly correlated many-body systems are considered. Taking as a working example a very simple system of several fermionic particles confined in a harmonic trap we show that the eigenvector continuation is not able to go beyond the accuracy of the sampling states. We support this observation within a very simple three-level model capturing directly this obstacle. Since mentioned inaccuracy cannot be determined self-consistently within the eigenvalue continuation approach, support from other complementary methods is needed.
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We study the crossover of a finite one-dimensional bosonic ensemble from weak to strong interactions in harmonic traps and multi-well potentials. We perform diffusion quantum Monte Carlo calculations which we show to be in good agreement with results from analytical functions that we construct to describe these systems. For the harmonic trap, we use the correlated-pair wavefunction which we introduced in Brouzos and Schmelcher (2012 Phys. Rev. Lett. 108 045301) considering here much larger atom numbers, going beyond the few body ensembles studied in our previous work. We also investigate double and triple wells, changing correspondingly the uncorrelated part of the ansatz to describe efficiently the single-particle behaviour. On-site effects beyond mean-field and standard Bose–Hubbard calculations that appear in densities being captured by our analytical functions are explored.
A simple approximation which captures some nonperturbative aspects of the one-electron Green function of strongly interacting Fermion systems is developed. It provides a way to go one step beyond the usual dilute limit since particle-particle scattering as well as particle-hole scattering is treated on the same footing. Intermediate states are constrained to contain only one particle-hole excitation besides the incoming particle. The Faddeev equations resulting from an exact treatment of this three-body problem are investigated. In one dimension the method is able to show spin and charge decoupling, but does not reproduce the exact nature of power-law singularities.
A common challenge faced in quantum physics is finding the extremal eigenvalues and eigenvectors of a Hamiltonian matrix in a vector space so large that linear algebra operations on general vectors are not possible. There are numerous efficient methods developed for this task, but they generally fail when some control parameter in the Hamiltonian matrix exceeds some threshold value. In this Letter we present a new technique called eigenvector continuation that can extend the reach of these methods. The key insight is that while an eigenvector resides in a linear space with enormous dimensions, the eigenvector trajectory generated by smooth changes of the Hamiltonian matrix is well approximated by a very low-dimensional manifold. We prove this statement using analytic function theory and propose an algorithm to solve for the extremal eigenvectors. We benchmark the method using several examples from quantum many-body theory.