Eigenvector continuation has recently attracted a lot attention in nuclear structure and reactions as a variational resummation tool for many-body expansions. While previous applications focused on ground-state energies, excited states can be accessed on equal footing. This work is dedicated to a detailed understanding of the emergence of excited states from the eigenvector continuation approach. For numerical applications the one-dimensional quartic anharmonic oscillator is investigated, which represents a strongly non-perturbative quantum system where the use of standard perturbation techniques break down. We discuss how different choices for the construction of the EC manifold affect the quality of the EC resummation and investigate in detail the results from EC for excited states compared to results from a full diagonalization as a function of the basis space size.
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 work 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.
We construct an efficient emulator for two-body scattering observables using the general (complex) Kohn variational principle and trial wave functions derived from eigenvector continuation. The emulator simultaneously evaluates an array of Kohn variational principles associated with different boundary conditions, which allows for the detection and removal of spurious singularities known as Kohn anomalies. When applied to the $K$-matrix only, our emulator resembles the one constructed by Furnstahl et al. [Phys. Lett. B 809, 135719] although with reduced numerical noise. After a few applications to real potentials, we emulate differential cross sections for $^{40}$Ca$(n,n)$ scattering based on a realistic optical potential and quantify the model uncertainties using Bayesian methods. These calculations serve as a proof of principle for future studies aimed at improving optical models.
Out-of-time-ordered correlators (OTOCs) have been suggested as a means to study quantum chaotic behavior in various systems. In this work, I calculate OTOCs for the quantum mechanical anharmonic oscillator with quartic potential, which is classically integrable and has a Poisson-like energy-level distribution. For low temperature, OTOCs are periodic in time, similar to results for the harmonic oscillator and the particle in a box. For high temperature, OTOCs exhibit a rapid (but power-like) rise at early times, followed by saturation consistent with $2langle x^2rangle_T langle p^2rangle_T$ at late times. At high temperature, the spectral form factor decreases at early times, bounces back and then reaches a plateau with strong fluctuations.
An approach for relating the nucleon excited states extracted from lattice QCD and the nucleon resonances of experimental data has been developed using the Hamiltonian effective field theory (HEFT) method. By formulating HEFT in the finite volume of the lattice, the eigenstates of the Hamiltonian model can be related to the energy eigenstates observed in Lattice simulations. By taking the infinite-volume limit of HEFT, information from the lattice is linked to experiment. The approach opens a new window for the study of experimentally-observed resonances from the first principles of lattice QCD calculations. With the Hamiltonian approach, one not only describes the spectra of lattice-QCD eigenstates through the eigenvalues of the finite-volume Hamiltonian matrix, but one also learns the composition of the lattice-QCD eigenstates via the eigenvectors of the Hamiltonian matrix. One learns the composition of the states in terms of the meson-baryon basis states considered in formulating the effective field theory. One also learns the composition of the resonances observed in Nature. In this paper, we will focus on recent breakthroughs in our understanding of the structure of the $N^*(1535)$, $N^*(1440)$ and $Lambda^*(1405)$ resonances using this method.
The configuration interaction method, which is well-known as the shell-model calculation in the nuclear physics community, plays a key role in elucidating various properties of nuclei. In general, these studies require a huge number of shell-model calculations to be repeated for parameter calibration and quantifying uncertainties. To reduce these computational costs, we propose a new workflow of shell-model calculations using a method called eigenvector continuation (EC). It enables us to efficiently approximate the eigenpairs under a given Hamiltonian by previously sampled eigenvectors. We demonstrate the validity of EC as an emulator of the shell-model calculations for a valence space, where the dimension of parameters is relatively large compared to the previous studies using EC. We also discuss its possible applications to the quantification of theoretical uncertainty, using an example of Markov chain Monte Carlo sampling for a simplified problem. Furthermore, we propose a new usage of EC: preprocessing, in which we start the Lanczos iterations from the approximate eigenvectors, and demonstrate that this can accelerate the shell-model calculations and the subsequent research cycles. With the aid of the eigenvector continuation, the eigenvectors obtained during the parameter optimization are not necessarily to be discarded, even if their eigenvalues are far from the experimental data. Those eigenvectors can become accumulated knowledge. In order to enable efficient sampling of shell-model results and to demonstrate the usefulness of the methodology described above, we developed a new shell-model code, ShellModel.jl. This code is written in Julia language and therefore flexible to add extensions for the users purposes.