Multi-reference many-body perturbation theory for nuclei III -- Ab initio calculations at second order in PGCM-PT

TL;DR

This paper introduces a novel multi-reference perturbation theory (PGCM-PT) at second order for nuclei, improving the accuracy of binding energies and excitation spectra by including dynamical correlations within a symmetry-conserving framework.

Contribution

It presents the first realistic implementation of PGCM-PT(2) for nuclei, demonstrating high accuracy in binding energies and excitation energies with smaller model spaces using evolved Hamiltonians.

Findings

Exact binding energies within 0.5-1.5% for selected nuclei.

Dynamical correlations significantly improve excitation energy predictions.

Smaller model spaces suffice when using Hamiltonian pre-processing.

Abstract

In spite of missing dynamical correlations, the projected generator coordinate method (PGCM) was recently shown to be a suitable method to tackle the low-lying spectroscopy of complex nuclei. Still, describing absolute binding energies and reaching high accuracy eventually requires the inclusion of dynamical correlations on top of the PGCM. In this context, the present work discusses the first realistic results of a novel multi-reference perturbation theory (PGCM-PT) that can do so within a symmetry-conserving scheme for both ground and low-lying excited states. First, proof-of-principle calculations in a small ($e_{\mathrm{max}}=4$) model space demonstrate that exact binding energies of closed- (\nucl{O}{16}) and open-shell (\nucl{O}{18}, \nucl{Ne}{20}) nuclei are reproduced within $0.5-1.5\%$ at second order, i.e. through PGCM-PT(2). Moreover, profiting from the pre-processing of the Hamiltonian via multi-reference in-medium similarity renormalization group transformations, PGCM-PT(2) can reach converged values within smaller model spaces than with an unevolved Hamiltonian. Doing so, dynamical correlations captured by PGCM-PT(2) are shown to bring essential corrections to low-lying excitation energies that become too dilated at leading order, i.e., at the strict PGCM level. The present work is laying the foundations for a better understanding of the optimal way to grasp static and dynamical correlations in a consistent fashion, with the aim of accurately describing ground and excited states of complex nuclei via ab initio many-body methods.