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Quantum Monte Carlo for dynamical pions and nucleons

Lucas Madeira, Kevin E. Schmidt, Alessandro Lovato, Francesco Pederiva

Published Mar 28, 2018• 0 citations
OpenAlex

Abstract

In most simulations of nonrelativistic nuclear systems, the wave functions found solving the many-body Schr\odinger equations describe the quantum-mechanical amplitudes of the nucleonic degrees of freedom. In those simulations the pionic contributions are encoded in nuclear potentials and electroweak currents, and they determine the low-momentum behavior. In this work we present a novel quantum Monte Carlo formalism in which both relativistic pions and nonrelativistic nucleons are explicitly included in the quantum mechanical states of the system. We report the renormalization of the nucleon mass as a function of the momentum cutoff, an Euclidean time density correlation function that deals with the short-time nucleon diffusion, and the pion cloud density and momentum distributions. In the two nucleon sector we show that the interaction of two static nucleons at large distances reduces to the one-pion exchange potential, and we fit the low-energy constants of the contact interactions to reproduce the binding energy of the deuteron and two neutrons in finite volumes. We show that the method can be readily applied to light-nuclei.

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In most simulations of nonrelativistic nuclear systems, the wave functions found solving the many-body Schr\odinger equations describe the quantum-mechanical amplitudes of the nucleonic degrees of freedom. In those simulations the pionic contributions are encoded in nuclear potentials and electroweak currents, and they determine the low-momentum behavior. In this work we present a novel quantum Monte Carlo formalism in which both relativistic pions and nonrelativistic nucleons are explicitly included in the quantum mechanical states of the system. We report the renormalization of the nucleon mass as a function of the momentum cutoff, an Euclidean time density correlation function that deals with the short-time nucleon diffusion, and the pion cloud density and momentum distributions. In the two nucleon sector we show that the interaction of two static nucleons at large distances reduces to the one-pion exchange potential, and we fit the low-energy constants of the contact interactions to reproduce the binding energy of the deuteron and two neutrons in finite volumes. We show that the method can be readily applied to light-nuclei.
Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art Hamiltonian-simulation methods, and conduct a thorough algorithmic analysis, to estimate the qubit and gate costs to simulate low-energy effective field theories (EFTs) of nuclear physics. Within the framework of nuclear lattice EFT, we obtain simulation costs for the leading-order pionless and pionful EFTs. For the latter, we consider both static pions represented by a one-pion-exchange potential between the nucleons, and dynamical pions represented by relativistic bosonic fields coupled to non-relativistic nucleons. Within these models, we examine the resource costs for the tasks of time evolution and energy estimation for physically relevant scales. We account for model errors associated with truncating either long-range interactions in the one-pion-exchange EFT or the pionic Hilbert space in the dynamical-pion EFT, and for algorithmic errors associated with product-formula approximations and quantum phase estimation. We find that the pionless EFT is the least costly to simulate, followed by the one-pion-exchange theory, then the dynamical-pion theory. We demonstrate how symmetries of the low-energy nuclear Hamiltonians can be utilized to obtain tighter error bounds. By retaining the locality of nucleonic interactions when mapped to qubits, we achieve reduced circuit depth and substantial parallelization. In the process, we develop new methods to bound the algorithmic error for classes of fermionic number-preserving Hamiltonians, and obtain tighter Trotter error bounds by explicitly computing nested commutators of Hamiltonian terms. Compared to previous estimates for the pionless EFT, our results represent an improvement by several orders of magnitude.
Neutron matter, through its connection to neutron stars as well as systems such as cold atom gases, is one of the most interesting yet computationally accessible systems in nuclear physics. The configuration-interaction Monte Carlo (CIMC) method is a stochastic many-body technique allowing us to tackle strongly coupled systems. In contrast to other quantum Monte Carlo methods employed in nuclear physics, the CIMC method can be formulated directly in momentum space allowing for an efficient use of nonlocal interactions. In this work we extend CIMC method to include three-nucleon interactions through the normal-ordered two-body approximation. We present results for the equation of state of neutron matter in line with other many-body calculations that employ low-resolution chiral interactions, and provide predictions for the momentum distribution and the static structure factor.
The nucleon momentum distribution nA(k){n}_{A}(k)nA​(k) for A=2A=2A=2, 3, 4, 16, and 40 nuclei is systematically analyzed in terms of wave functions resulting from advanced solutions of the nonrelativistic Schr\"odinger equation, obtained within different many-body approaches based upon different realistic bare nucleon-nucleon (NNNNNN) interactions featuring similar short-range repulsion and tensor interactions. Particular attention is paid to the separation of the momentum distributions into the mean-field and short-range correlation (SRC) contributions. It is shown that although at high values of the momentum kkk different approaches lead to some quantitative differences, these do not hinder the general conclusion that the high-momentum behavior ($k\ensuremath{\gtrsim}1.5--2$ fm${}^{\ensuremath{-}1}$) of all nuclei considered are very similar, exhibiting the well-known scaling behavior with the mass number AAA, independently of the used many-body approach and the details of the bare NNNNNN interaction. To analyze and understand the frequently addressed question concerning the relationships between the nucleus, nA(k){n}_{A}(k)nA​(k), and the deuteron, nD(k){n}_{D}(k)nD​(k), momentum distributions, the spin (SSS)-isospin (TTT) structure of few-nucleon systems and complex nuclei is analyzed in terms of realistic NNNNNN interactions and many-body approaches. To this end, the number of NNNNNN pairs in a given (STSTST) state, viz., (ST)=(10)(ST)=(10)(ST)=(10), (00), (01), and (11), and the contribution of these states to the nucleon momentum distributions are calculated. It is shown that, apart from the (00) state, which has very small effects, all other spin-isospin states contribute to the momentum distribution in a wide range of momenta. It is shown that for all nuclei considered the momentum distributions in the states T=0T=0T=0 and T=1T=1T=1 exhibit at $k\ensuremath{\gtrsim}1.5--2$ fm${}^{\ensuremath{-}1}$ very similar behaviors, which represents strong evidence of the AAA-independent character of SRCs. The ratio nA(k)/nD(k){n}_{A}(k)/{n}_{D}(k)nA​(k)/nD​(k) is analyzed in detail, stressing that in the SRC region it always increases with the momentum and the origin of such an increase is discussed and elucidated. The relationships between the one- and two-body momentum distributions, considered in a previous paper, are discussed and clarified, pointing out the relevant role played by the center-of-mass motion of a correlated pair in the (10) state. Eventually, the values of the the probability of high-momentum components in nuclei and the per nucleon probability a2{a}_{2}a2​ of deuteronlike configurations in nuclei are calculated, and the relationship of the present approach with the many-body methods based upon low-momentum effective interactions is briefly discussed.
Ground-state properties in a model quantum field theory are calculated by stochastic evaluation of a path integral representation of the many-body propagator. The model consists of nonrelativistic nucleons coupled to vector and scalar mesons in one spatial dimension. Binding energies and density distributions are calculated for bound states of up to twenty nucleons. The binding energy as a function of density, the nucleon-nucleon correlation function, and the meson-meson correlation function are evaluated in nuclear matter. Exact ground-state solutions to the full field theory are shown to differ relatively little from those of the potential theory corresponding to the static limit. The exact solutions differ substantially from those of the mean-field (Hartree) approximation, but are quite similar to those obtained in the Hartree-Fock approximation.NUCLEAR STRUCTURE Meson-nucleon field theory. Monte Carlo solution. Nuclear matter.
Pionful nuclear effective field theory (NEFT) in the two-nucleon sector is examined from the Wilsonian renormalization group point of view. The pion exchange is cut off at the floating cutoff scale, Λ\LambdaΛ, with the short-distance part being represented as contact interactions in accordance with the general principle of renormalization. We derive the nonperturbative renormalization group equations in the leading order of the nonrelativistic approximation in the operator space including up to O(p2)\mathcal{O}(p^2)O(p2) and find the nontrivial fixed points in the 1S0^1S_01S0​ and 3S1^3S_13S1​--3D1^3D_13D1​ channels which are identified with those in the pionless NEFT. The scaling dimensions, which determine the power counting, of the contact interactions at the nontrivial fixed points are also identified with those in the pionless NEFT. We emphasize the importance of the separation of the pion exchange into the short-distance and the long-distance parts, since a part of the former is nonperturbative while the latter is perturbative.
The role of Pauli potentials in the semiclassical simulation of Fermi gases at low temperatures is investigated. An alternative Pauli potential to the usual bivariate Gaussian form by Dorso et al. is proposed. This new Pauli potential allows for a simultaneous good reproduction of not only the kinetic energy per particle but also the momentum distribution and the two-body correlation function. The reproduction of the binding energies in finite nuclei in the low and medium mass range is also analyzed. What is found is that given a reasonable short-range atractive nuclear interaction one can include correlation effects in a suitable chosen density dependent Pauli potential.