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 accesse
d 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.
We introduce a hybrid many-body approach that combines the flexibility of the No-Core Shell Model (NCSM) with the efficiency of Multi-Configurational Perturbation Theory (MCPT) to compute ground- and excited-state energies in arbitrary open-shell nuc
lei in large model spaces. The NCSM in small model spaces is used to define a multi-determinantal reference state that contains the most important multi-particle multi-hole correlations and a subsequent second-order MCPT correction is used to capture additional correlation effects from a large model space. We apply this new ab initio approach for the calculation of ground-state and excitation energies of even and odd-mass carbon, oxygen, and fluorine isotopes and compare to large-scale NCSM calculations that are computationally much more expensive.
We investigate the order-by-order convergence behavior of many-body perturbation theory (MBPT) as a simple and efficient tool to approximate the ground-state energy of closed-shell nuclei. To address the convergence properties directly, we explore pe
rturbative corrections up to 30th order and highlight the role of the partitioning for convergence. The use of a simple Hartree-Fock solution to construct the unperturbed basis leads to a convergent MBPT series for soft interactions, in contrast to, e.g., a harmonic oscillator basis. For larger model spaces and heavier nuclei, where a direct high-order MBPT calculation in not feasible, we perform third-order calculation and compare to advanced ab initio coupled-cluster calculations for the same interactions and model spaces. We demonstrate that third-order MBPT provides ground-state energies for nuclei up into tin isotopic chain that are in excellent agreement with the best available coupled-cluster results at a fraction of the computational cost.
