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Register a new userADG: Automated generation and evaluation of many-body diagrams III. Bogoliubov in-medium similarity renormalization group formalism
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Alexander Tichai Dr
Publication date
2021
fields
Physics
and research's language is
English
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The goal of the present paper is twofold. First, a novel expansion many-body method applicable to superfluid open-shell nuclei, the so-called Bogoliubov in-medium similarity renormalization group (BIMSRG) theory, is formulated. This generalization of standard single-reference IMSRG theory for closed-shell systems parallels the recent extensions of coupled cluster, self-consistent Greens function or many-body perturbation theory. Within the realm of IMSRG theories, BIMSRG provides an interesting alternative to the already existing multi-reference IMSRG (MR-IMSRG) method applicable to open-shell nuclei. The algebraic equations for low-order approximations, i.e., BIMSRG(1) and BIMSRG(2), can be derived manually without much difficulty. However, such a methodology becomes already impractical and error prone for the derivation of the BIMSRG(3) equations, which are eventually needed to reach high accuracy. Based on a diagrammatic formulation of BIMSRG theory, the second objective of the present paper is thus to describe the third version (v3.0.0) of the ADG code that automatically (1) generates all valid BIMSRG(n) diagrams and (2) evaluates their algebraic expressions in a matter of seconds. This is achieved in such a way that equations can easily be retrieved for both the flow equation and the Magnus expansion formulations of BIMSRG. Expanding on this work, the first future objective is to numerically implement BIMSRG(2) (eventually BIMSRG(3)) equations and perform ab initio calculations of mid-mass open-shell nuclei.
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We describe the second version (v2.0.0) of the code ADG that automatically (1) generates all valid off-diagonal Bogoliubov many-body perturbation theory diagrams at play in particle-number projected Bogoliubov many-body perturbation theory (PNP-BMBPT) and (2) evaluates their algebraic expression to be implemented for numerical applications. This is achieved at any perturbative order $p$ for a Hamiltonian containing both two-body (four-legs) and three-body (six-legs) interactions (vertices). All valid off-diagonal BMBPT diagrams of order $p$ are systematically generated from the set of diagonal, i.e., unprojected, BMBPT diagrams. The production of the latter were described at length in https://doi.org/10.1016/j.cpc.2018.11.023 dealing with the first version of ADG. The automated evaluation of off-diagonal BMBPT diagrams relies both on the application of algebraic Feynmans rules and on the identification of a powerful diagrammatic rule providing the result of the remaining $p$-tuple time integral. The new diagrammatic rule generalizes the one already identified in https://doi.org/10.1016/j.cpc.2018.11.023 to evaluate diagonal BMBPT diagrams independently of their perturbative order and topology. The code ADG is written in Python3 and uses the graph manipulation package NetworkX. The code is kept flexible enough to be further expanded throughout the years to tackle the diagrammatics at play in various many-body formalisms that already exist or are yet to be formulated.
We present a pedagogical discussion of Similarity Renormalization Group (SRG) methods, in particular the In-Medium SRG (IMSRG) approach for solving the nuclear many-body problem. These methods use continuous unitary transformations to evolve the nuclear Hamiltonian to a desired shape. The IMSRG, in particular, is used to decouple the ground state from all excitations and solve the many-body Schrodinger equation. We discuss the IMSRG formalism as well as its numerical implementation, and use the method to study the pairing model and infinite neutron matter. We compare our results with those of Coupled cluster theory, Configuration-Interaction Monte Carlo, and the Self-Consistent Greens Function approach. The chapter concludes with an expanded overview of current research directions, and a look ahead at upcoming developments.
Over the past decade the in-medium similarity renormalization group (IMSRG) approach has proven to be a powerful and versatile ab initio many-body method for studying medium-mass nuclei. So far, the IMSRG was limited to the approximation in which only up to two-body operators are incorporated in the renormalization group flow, referred to as the IMSRG(2). In this work, we extend the IMSRG(2) approach to fully include three-body operators yielding the IMSRG(3) approximation. We use a perturbative scaling analysis to estimate the importance of individual terms in this approximation and introduce truncations that aim to approximate the IMSRG(3) at a lower computational cost. The IMSRG(3) is systematically benchmarked for different nuclear Hamiltonians for ${}^{4}text{He}$ and ${}^{16}text{O}$ in small model spaces. The IMSRG(3) systematically improves over the IMSRG(2) relative to exact results. Approximate IMSRG(3) truncations constructed based on computational cost are able to reproduce much of the systematic improvement offered by the full IMSRG(3). We also find that the approximate IMSRG(3) truncations behave consistently with expectations from our perturbative analysis, indicating that this strategy may also be used to systematically approximate the IMSRG(3).
In the past few years in-medium similarity renormalization group methods have been introduced and developed. In these methods the Hamiltonian is evolved using a unitary transformation in order to decouple a reference state from the rest of the Hilbert space. The evolution by itself will generate, even if we start from a two-body interaction, many-body forces which are usually neglected. In this work we estimate the effect of these residual many-body forces by comparing results obtained with the Hybrid Multi-determinant method, which keeps the Hamiltonian within the two-body sector, with the corresponding ones obtained with the in-medium similarity renormalization group. Although percentage-wise the effect of neglecting these induced many-body forces is not too large, they can be appreciable depending on the nucleus, the shell model space and the harmonic oscillator frequency.
We use a reference state based on symmetry-restored states from deformed mean-field or generator-coordinate-method (GCM) calculations in conjunction with the in-medium similarity-renormalization group (IMSRG) to compute spectra and matrix elements for neutrinoless double-beta ($0 ubetabeta$) decay. Because the decay involves ground states from two nuclei, we use evolved operators from the IMSRG in one nucleus in a subsequent GCM calculation in the other. We benchmark the resulting IMSRG+GCM method against complete shell-model diagonalization for both the energies of low-lying states in $^{48}$Ca and $^{48}$Ti and the $0 ubetabeta$ matrix element for the decay of $^{48}$Ca, all in a single valence shell. Our approach produces better spectra than either the IMSRG with a spherical-mean-field reference or GCM calculations with unevolved operators. For the $0 ubetabeta$ matrix element the improvement is slight, but we expect more significant effects in full ab-initio calculations.
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