arXiv subjects

Calvin W. Johnson

Publications and source records attributed to Calvin W. Johnson.

At least 37 records · Page 2Linked to original sources

arXiv2023

Uncertainty quantification of transition operators in the empirical shell model

While empirical shell model calculations have successfully described low-lying nuclear data for decades, only recently has significant effort been made to quantify the uncertainty in such calculations. Here we quantify the statistical error in effective parameters for transition operators in empirical calculations in the $sd$ ($1s_{1/2}$-$0d_{3/2}$-$0d_{5/2}$) valence space, specifically the quenching of Gamow-Teller transitions, effective charges for electric quadrupole (E2) transitions, and the effective orbital and spin couplings for magnetic dipole (M1) transitions. We find the quenching factor for Gamow-Teller transitions relative to free-space values is tightly constrained and that the isoscalar coupling of E2 is much more tightly constrained than the isovector coupling. For effective M1 couplings, we found isovector components more constrained than isoscalar, but that to get any sensible result we had to fix one of four couplings. This detailed quantification of uncertainties, while highly empirical, nonetheless is an important step towards interpretation of experiments.

nucl-th↗

arXiv2023

Proton-neutron entanglement in the nuclear shell model

We compute the proton-neutron entanglement entropy in the interacting nuclear shell model for a variety of nuclides and interactions. Some results make intuitive sense, for example that the shell structure, as governed by single-particle and monopole energies, strongly affects the energetically available space and thus the entanglement entropy. We also find a surprising result: that the entanglement entropy at low excitation energy tends to decrease for nuclides when $N \neq Z$. While we provide evidence this arises from the physical nuclear force by contrasting with random two-body interactions which shows no such decrease, the exact mechanism is unclear. Nonetheless, the low entanglement suggests that in models of neutron-rich nuclides, the coupling between protons and neutrons may be less computationally demanding than one might otherwise expect.

nucl-th↗

arXiv2022

Bootstrapped Block Lanczos for large-dimension eigenvalue problems

The Lanczos algorithm has proven itself to be a valuable matrix eigensolver for problems with large dimensions, up to hundreds of millions or even tens of billions. The computational cost of using any Lanczos algorithm is dominated by the number of sparse matrix-vector multiplications until suitable convergence is reached. Block Lanczos replaces sparse matrix-vector multiplication with sparse matrix-matrix multiplication, which is more efficient, but for a randomly chosen starting block (or pivot), more multiplications are required to reach convergence. We find that a bootstrapped pivot block, that is, an initial block constructed from approximate eigenvectors computed in a truncated space, leads to a dramatically reduced number of multiplications, significantly outperforming both standard vector Lanczos and block Lanczos with a random pivot. A key condition for speed-up is that the pivot block have a non-trivial overlap with the final converged vectors. We implement this approach in a configuration-interaction code for nuclear structure, and find a reduction in time-to-solution by a factor of two or more, up to a factor of ten.

physics.comp-ph↗

arXiv2022

An Alternative Approach to Quantum Imaginary Time Evolution

There is increasing interest in quantum algorithms that are based on the imaginary-time evolution (ITE), a successful classical numerical approach to obtain ground states. However, most of the proposals so far require heavy post-processing computational steps on a classical computer, such as solving linear equations. Here we provide an alternative approach to implement ITE. A key feature in our approach is the use of an orthogonal basis set: the propagated state is efficiently expressed in terms of orthogonal basis states at every step of the evolution. We argue that the number of basis states needed at those steps to achieve an accurate solution can be kept of the order of $n$, the number of qubits, by controlling the precision (number of significant digits) and the imaginary-time increment. The number of quantum gates per imaginary-time step is estimated to be polynomial in $n$. Additionally, while in many QAs the locality of the Hamiltonian is a key assumption, in our algorithm this restriction is not required. This characteristic of our algorithm renders it useful for studying highly nonlocal systems, such as the occupation-representation nuclear shell model. We illustrate our algorithm through numerical implementation on an IBM quantum simulator.

quant-ph↗

arXiv2022

Nucleon-pair truncation of the shell model for medium-heavy nuclei

Background: Computationally tractable models of atomic nuclei is a long-time goal of nuclear structure physics. A flexible framework which easily includes excited states and many-body correlations is the configuration-interaction shell model (SM), but the exponential growth of the basis means one needs an efficient truncation scheme, ideally one that includes both deformation and pairing correlations. Purpose: We propose an efficient truncation scheme of the SM: starting from a pair condensate variationally defined by Hartree-Fock single-particle states and the particle-number conserved Bardeen-Cooper-Schrieffer (NBCS) approximation, we carry out projection of states with good angular momentum. Methods: After generating Hartree-Fock single-particle states with Kramers degeneracy in a SM space, we optimize the pair amplitudes in the NBCS by minimizing the energy, and then use linear algebra projection (LAP) of states with good angular momentum. Both NBCS and LAP are computationally fast. Results: Our calculations yield good agreement with full configuration-interaction SM calculations for low-lying states of transitional and rotational nuclei with axially symmetric and triaxial deformation in medium- and heavy-mass regions: $^{44,46,48}$Ti, $^{48,50}$Cr, $^{52}$Fe, $^{60,62,64}$Zn, $^{66,68}$Ge, $^{68}$Se, and $^{108,110}$Xe. We predict low-lying states of $^{112-114}\textrm{Ba}$ and $^{116-120}\textrm{Ce}$, nuclei difficult to reach by large-scale SM calculations. Conclusions: Both pair correlation and the configuration mixing between different intrinsic states play a key role in reproducing collectivity and shape coexistence, demonstrating the utility of this truncation scheme of the SM to study transitional and deformed nuclei.

nucl-th↗

arXiv2022

Collective neutrino oscillations with tensor networks using a time-dependent variational principle

If a system of flavor-oscillating neutrinos is at high enough densities that neutrino-neutrino coherent forward scatterings are non-negligible, the system becomes a time-dependent many-body problem. An important and open question is whether the flavor evolution is sufficiently described by a mean-field approach or can be strongly affected by correlations arising from two-body interactions in the neutrino Hamiltonian, as measured by nontrivial quantum entanglement. Numerical computations of the time evolution of many-body quantum systems are challenging because the size of the Hilbert space scales exponentially with the number of particles N in the system. Thus, it is important to investigate approximate but beyond-mean-field numerical treatments at larger values of N. Here we investigate the efficacy of tensor network methods to calculate the time evolution of interacting neutrinos at larger values of N than are possible with conventional methods. In particular, we introduce the use of time-dependent variational principle methods to address the long-range (in momentum space) interactions of the neutrino Hamiltonian when including many distinct vacuum oscillation frequencies. We also define new error measures based upon the instantaneously conserved charge operators known for this Hamiltonian to determine validity of large-N tensor network calculations.

hep-ph↗

arXiv2022

New Insights into Backbending in the Symmetry-adapted Framework

We provide new insights into backbending phenomenon within the symmetry-adapted framework which naturally describes the intrinsic deformation of atomic nuclei. For $^{20}\text{Ne}$, the canonical example of backbending in light nuclei, the ab initio symmetry-adapted no-core shell model shows that while the energy spectrum replicates the backbending from experimental energies under the rigid rotor assumption, there is no change in the intrinsic deformation or intrinsic spin of the yrast band around the backbend. For the traditional example of $^{48}\text{Cr}$, computed in the valence shell with empirical interactions, we confirm a high-spin nucleus that is effectively spherical, in agreement with previous models. However, we find that this spherical distribution results, on average, from an almost equal mixing of deformed prolate shapes with deformed oblate and triaxial shapes. Microscopic calculations confirm the importance of spin alignment and configuration mixing, but surprisingly unveil no anomalous increase in moment of inertia. This finding opens the path toward further understanding the rotational behavior and moment of inertia of medium-mass nuclei.

nucl-th↗

arXiv2022

A modified Brink-Axel hypothesis for astrophysical Gamow-Teller transitions

Weak interaction charged current transition strengths from highly excited nuclear states are fundamental ingredients for accurate modeling of compact object composition and dynamics, but are difficult to obtain either from experiment or theory. For lack of alternatives, calculations have often fallen back upon a generalized Brink-Axel hypothesis, that is, assuming the strength function (transition probability) is independent of the initial nuclear state but depends only upon the transition energy and the weak interaction properties of the parent nucleus ground state. Here we present numerical evidence for a modified `local' Brink-Axel hypothesis for Gamow-Teller transitions for $pf$-shell nuclei relevant to astrophysical applications. Specifically, while the original Brink-Axel hypothesis does not hold globally, strength functions from initial states nearby in energy are similar within statistical fluctuations. This agrees with previous work on strength function moments. Using this modified hypothesis, we can tackle strength functions at previously intractable initial energies, using semi-converged initial states at arbitrary excitation energy. Our work provides a well-founded method for computing accurate thermal weak transition rates for medium-mass nuclei at temperatures occurring in stellar cores near collapse. We finish by comparing to previous calculations of astrophysical rates.

nucl-th↗

arXiv2022

Nuclear states projected from a pair condensate

Atomic nuclei exhibit deformation, pairing correlations, and rotational symmetries. To meet these competing demands in a computationally tractable formalism, we revisit the use of general pair condensates with good particle number as a trial wave function for even-even nuclei. After minimizing the energy of the condensate, we project out states with good angular momentum with a fast projection technique, allowing for general triaxial deformations. To show applicability, we present example calculations from pair condensates in several model spaces, and compare against projected Hartree-Fock and full configuration-interaction shell model calculations. This approach successfully generates spherical, vibrational and rotational spectra, demonstrating potential for modeling medium- to heavy-mass nuclei.

nucl-th↗

arXiv2021

Benchmarking projected Hartree-Fock as an approximation

We benchmark angular-momentum projected{-after-variation} Hartree-Fock calculations as an approximation to full configuration-interaction results in a shell model basis. For such a simple approximation we find reasonably good agreement between excitation spectra, including for many odd-$A$ and odd-odd nuclides. We frequently find shape coexistence, in the form of multiple Hartree-Fock minima; {mixing in shape coexistence, the first step beyond single-reference projected Hartree-Fock}, demonstrably improves the spectrum in the $sd$- and $pf$-shells. The complex spectra of germanium isotopes present a challenge: for even $A$ the spectra are only moderately good and those of odd $A$ bear little resemblance to the configuration-interaction results. Despite this failure we are able to broadly reproduce the odd-even staggering of ground state binding energies, save for germanium isotopes with $N > 40$. To illustrate potential applications, we compute the spectrum of the recently measured dripline nuclide $^{40}$Mg. All in all, projected Hartree-Fock often provides a better description of low-lying nuclear spectra than one might expect. Key to this is the use of gradient descent and unrestricted shapes.

nucl-th↗

arXiv2021

Lipkin model on a quantum computer

Atomic nuclei are important laboratories for exploring and testing new insights into the universe, such as experiments to directly detect dark matter or explore properties of neutrinos. The targets of interest are often heavy, complex nuclei that challenge our ability to reliably model them (as well as quantify the uncertainty of those models) with classical computers. Hence there is great interest in applying quantum computation to nuclear structure for these applications. As an early step in this direction, especially with regards to the uncertainties in the relevant quantum calculations, we develop circuits to implement variational quantum eigensolver (VQE) algorithms for the Lipkin-Meshkov-Glick model, which is often used in the nuclear physics community as a testbed for many-body methods. We present quantum circuits for VQE for two and three particles and discuss the construction of circuits for more particles. Implementing the VQE for a two-particle system on the IBM Quantum Experience, we identify initialization and two-qubit gates as the largest sources of error. We find that error mitigation procedures reduce the errors in the results significantly, but additional quantum hardware improvements are needed for quantum calculations to be sufficiently accurate to be competitive with the best current classical methods.

hep-th↗

arXiv2021

Nucleon-pair coupling scheme in Elliott's SU(3) model

Elliott's SU(3) model is at the basis of the shell-model description of rotational motion in atomic nuclei. We demonstrate that SU(3) symmetry can be realized in a truncated shell-model space if constructed in terms of a sufficient number of collective $S$, $D$, $G$, $\dots$ pairs (i.e., with angular momentum zero, two, four, $\dots$) and if the structure of the pairs is optimally determined either by a conjugate-gradient minimization method or from a Hartree-Fock intrinsic state. We illustrate the procedure for 6 protons and 6 neutrons in the $pf$ ($sdg$) shell and exactly reproduce the level energies and electric quadrupole properties of the ground-state rotational band with $SDG$ ($SDGI$) pairs. The $SD$-pair approximation without significant renormalization, on the other hand, cannot describe the full SU(3) collectivity. A mapping from Elliott's fermionic SU(3) model to systems with $s$, $d$, $g$, $\dots$ bosons provides insight into the existence of a decoupled collective subspace in terms of $S$, $D$, $G$, $\dots$ pairs.

nucl-th↗

arXiv2020

The nucleon-pair approximation for nuclei from spherical to deformed regions

In this paper we model low-lying states of atomic nuclei in the nucleon-pair approximation of the shell model, using three approaches to select collective nucleon pairs: the generalized seniority scheme, the conjugate gradient method, and the Hartree-Fock approach. We find the collective pairs obtained from the generalized seniority scheme provides a good description for nearly spherical nuclei, and those from the conjugate gradient method or the Hartree-Fock approach work well for transitional and deformed nuclei. Our NPA calculations using collective pairs with angular momenta 0, 2, and 4 (denoted by $SDG$ pairs) reproduce the nuclear shape evolution in the $N=26$ isotones, $^{46}$Ca, $^{48}$Ti, $^{50}$Cr, and $^{52}$Fe, and yield good agreement with full configuration-interaction calculations of low-lying states in medium-heavy transitional and deformed nuclei: $^{44-48}$Ti, $^{48}$Cr, $^{50}$Cr, $^{52}$Fe, $^{60-64}$Zn, $^{64,66}$Ge, $^{84}$Mo, and $^{108-112}$Xe. Finally, using the $SDGI$-pair approximation we describe low-lying states of $^{112,114}$Ba, cases difficult to reach by conventional configuration-interaction methods.

nucl-th↗

arXiv2020

From bound states to the continuum

This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program "From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory". One of the biggest and most important frontiers in nuclear theory today is to construct better and stronger bridges between bound state calculations and calculations in the continuum, especially scattering and reaction theory, as well as teasing out the influence of the continuum on states near threshold. This is particularly challenging as many-body structure calculations typically use a bound state basis, while reaction calculations more commonly utilize few-body continuum approaches. The many-body bound state and few-body continuum methods use different language and emphasize different properties. To build better foundations for these bridges, we present an overview of several bound state and continuum methods and, where possible, point to current and possible future connections.

nucl-th↗

arXiv2020

Rotational bands beyond the Elliott model

Rotational bands are commonplace in the spectra of atomic nuclei. Inspired by early descriptions of these bands by quadrupole deformations of a liquid drop, Elliott constructed a discrete nucleon representations of $\mathrm{SU}(3)$ from fermionic creation and annihilation operators. Ever since, Elliott's model has been foundational to descriptions of rotation in nuclei. Later work, however, suggested the symplectic extension $\mathrm{Sp}(3,R)$ provides a more unified picture. We decompose no-core shell-model nuclear wave functions into symmetry-defined subspaces for several beryllium isotopes, as well as $^{20}$Ne, using the quadratic Casimirs of both Elliott's $\mathrm{SU}(3)$ and $\mathrm{Sp}(3,R)$. The band structure, delineated by strong $B(E2)$ values, has a more consistent description in $\mathrm{Sp}(3,R)$ rather than $\mathrm{SU}(3)$. {In particular, we confirm previous work finding in some nuclides strongly connected upper and lower bands with the same underlying symplectic structure.

nucl-th↗

arXiv2020

Exact sum rules with approximate ground states

Electromagnetic and weak transitions tell us a great deal about the structure of atomic nuclei. Yet modeling transitions can be difficult: it is often easier to compute the ground state, if only as an approximation, than excited states. One alternative is through transition sum rules, in particular the non-energy-weighted and energy-weighted sum rules, which can be computed as expectation values of operators. We investigate by computing sum rules for a variety of nuclei, comparing the numerically exact full configuration-interaction shell model, as a reference, to Hartree-Fock, projected Hartree-Fock, and the nucleon pair approximation. These approximations yield reasonable agreement, which we explain by prior work on the systematics of transition moments.

nucl-th↗

arXiv2020

From deformed Hartree-Fock to the nucleon-pair approximation

The nucleon-pair approximation (NPA) can be a compact alternative to full configuration-interaction (FCI) diagonalization in nuclear shell-model spaces, but selecting good pairs is a long-standing problem. While seniority-based pairs work well for near-spherical nuclides, they do not work well for deformed nuclides with strong rotational bands. We propose an alternate approach. We show how one can write any Slater determinant for an even number of particles as a general pair condensate, from which one can project out pairs of good angular momentum. We implement this by generating unconstrained Hartree-Fock states in a shell model basis and extracting $S$, $D$, and $G$ pairs. The subsequent NPA calculations yield good agreement with FCI results using the same effective interactions.

nucl-th↗

arXiv2020

Uncertainty quantification of an empirical shell-model interaction using principal component analysis

Recent investigations have emphasized the importance of uncertainty quantification (UQ) to describe errors in nuclear theory. We carry out UQ for configuration-interaction shell model calculations in the $1s$-$0d$ valence space, investigating the sensitivity of observables to perturbations in the 66 parameters (matrix elements) of a high-quality empirical interaction. The large parameter space makes computing the corresponding Hessian numerically costly, so we compare a cost-effective approximation, using the Feynman-Hellmann theorem, to the full Hessian and find it works well. Diagonalizing the Hessian yields the principal components of the interaction: linear combinations of parameters ordered by sensitivity. This approximately decoupled distribution of parameters facilitates theoretical error propagation onto structure observables: electromagnetic transitions, Gamow-Teller decays, and dark matter-nucleus scattering matrix elements.

nucl-th↗