Particle-hole Excitations Research Articles

Constraining the axial-vector X17 interpretation with 12C data

Recent findings of an unexpected, narrow resonance in the e+e− decay spectra of excited states of 8Be, 4He and 12C by the ATOMKI collaboration have received considerable experimental and theoretical attention, whereby a new, 17-MeV vector-like or axial-vector-like boson termed X17 was conjectured as an explanation of the anomaly. Further analysis of all existing constraints disfavors a vector X17 scenario. For a similar analysis of the axial-vector scenario, a calculation of the reduced matrix element of a spin-dipole operator between the excited nuclear state 12C(17.23) and the carbon ground state is required. In the present work, we compute the aforementioned reduced matrix element under the assumption that the state 12C(17.23) is well represented by the 2s1/21p3/2−1 particle-hole shell-model excitation of the ground state, as supported by experimental data. Within such a framework, our results indicate that, like the vector scenario, the axial-vector interpretation of X17 shows strong tensions with the other existing constraints on the nucleon coupling of a conjectured X17.

Prethermalization in coupled one-dimensional quantum gases

We consider the problem of the development of steady states in one-dimensional Bose gas tubes that are weakly coupled to one another through a density-density interaction. We analyze this development through a Boltzmann collision integral approach. We argue that when the leading order of the collision integral, where single particle-hole excitations are created in individual gases, is dominant, the state of the gas evolves first to a non-thermal fixed point, i.e. a prethermalization plateau. This order is dominant when a pair of tubes are inequivalent with, say, different temperatures or different effective interaction parameters, \gammaγ. When both tubes are in the strongly interacting regime we additionally characterize this non-thermal prethermalization plateau by constructing the quasi-conserved quantities that control the existence of this plateau as well as the associated generalized Gibbs ensemble.

Coupled cluster finite temperature simulations of periodic materials via machine learning

Density functional theory is the workhorse of materials simulations. Unfortunately, the quality of results often varies depending on the specific choice of the exchange-correlation functional, which significantly limits the predictive power of this approach. Coupled cluster theory, including single, double, and perturbative triple particle-hole excitation operators, is widely considered the ‘gold standard' of quantum chemistry as it can achieve chemical accuracy for non-strongly correlated applications. Because of the high computational cost, the application of coupled cluster theory in materials simulations is rare, and this is particularly true if finite-temperature properties are of interest for which molecular dynamics simulations have to be performed. By combining recent progress in machine learning models with low data requirements for energy surfaces and in the implementation of coupled cluster theory for periodic materials, we show that chemically accurate simulations of materials are practical and could soon become significantly widespread. As an example of this numerical approach, we consider the calculation of the enthalpy of adsorption of CO2 in a porous material.

Searching for particle-hole cluster bands in 8Be using the ISOLDE Solenoidal Spectrometer

The 7Be(d, p)8Be∗ reaction was measured in inverse kinematics at a beam energy of 11 MeV/u using the ISOLDE Solenoidal Spectrometer, in order to identify and characterise high-excitation states in 8Be. The spin-parities of many of the states in the 16−20 MeV region can be explained as being particle-hole excitations within a two-centre shell model. The present experiment aims to elucidate the spin parities of higher excited states, > 20 MeV, to assess their candidacy as rotational excitations of the aforementioned particlehole states. The beam intensity in this experiment was measured using a downstream Micron S1 double-sided silicon strip detector to pick up elastically scattered deuterons. The focus of this paper is to present methods for calculating the beam intensity, which is key for extracting the spectroscopic factors of the measured states. Preliminary excitation spectra are also presented.

Description of the Proton-Decaying 0_{2}^{+} Resonance of the α Particle.

The recent precise experimental determination of the monopole transition form factor from the ground state of ^{4}He to its 0_{2}^{+} resonance via electron scattering has reinvigorated discussions about the nature of this first excited state of the α particle. The 0_{2}^{+} state has been traditionally interpreted in the literature as the isoscalar monopole resonance (breathing mode) or, alternatively, as a particle-hole shell-model excitation. To better understand the nature of this state, which lies only ∼410 keV above the proton emission threshold, we employ the coupled-channel representation of the no-core Gamow shell model. By considering the [^{3}H+p], [^{3}He+n], and [^{2}H+^{2}H] reaction channels, we explain the excitation energy and monopole form factor of the 0_{2}^{+} state. We argue that the continuum coupling strongly impacts the nature of this state, which carries characteristics of the proton decay threshold.

Extending the thermodynamic form factor bootstrap program: multiple particle-hole excitations, crossing symmetry, and reparameterization invariance

In this study, we further the thermodynamic bootstrap program which involves a set of recently developed ideas used to determine thermodynamic form factors of local operators in integrable quantum field theories. These form factors are essential building blocks for dynamic correlation functions at finite temperatures or non-equilibrium stationary states. In this work we extend this program in three ways. Firstly, we demonstrate that the conjectured annihilation pole axiom is valid in the low energy particle-hole excitations. Secondly, we introduce a crossing relation, which establishes a connection between form factors with different excitation content. Typically, the crossing relation is a consequence of Lorentz invariance, but due to the finite energy density of the considered states, Lorentz invariance is broken. Nonetheless a crossing relation involving excitations with both particles and holes can established using the finite volume representation of the thermodynamic form factors. Finally, we demonstrate that the thermodynamic form factors satisfy a reparameterization invariance, an invariance which encompasses crossing. Reparameterization invariance exploits the fact that the details of the representation of the thermodynamic state are unimportant. In the course of developing these results, we demonstrate the internal consistency of the thermodynamic form factor bootstrap program in a number of ways. Finally, we provide explicit computations of form factors of conserved charges and densities with crossed excitations and show our results can be used to infer information about thermodynamic form factors in the Lieb-Liniger model.

Interactions of omega mesons in nuclear matter and with nuclei

In-medium interactions of omega -mesons in infinite nuclear matter and finite nuclei are investigated in a microscopic approach, focused on the particle-hole excitations of the medium involving nucleonic NN^{-1} and N^*N^{-1} modes, where N^* denotes a nucleon resonance. The nuclear polarization tensors include relativistic mean-field dynamics by self–consistent scalar and vector fields. The resulting self-energies are transmitted to finite nuclei in local density approximation. Real and imaginary parts of longitudinal and transversal self-energies are discussed. The relation of the present approach to meson cloud models is addressed and an ambiguity is pointed out. Applications to recent data on the in–medium width of omega mesons scattered on a Niobium target serve to determine unknown N^*Nomega in-medium coupling constants. The data are well described by N^*N^{-1} self–energies containing S–wave and P-wave N^* resonances. Exploratory investigations, however, show that the spectroscopic composition of self-energies depends crucially on the near-threshold properties of the width which at present is known only within large error bars. The calculations predict the prevalence of transversal self–energies, implying that vector current conservation is still maintained in the nuclear medium by slightly more than 90%. Schrödinger-equivalent potentials are derived and scattering lengths and effective range parameters are extracted for the longitudinal and transversal channel. Longitudinal and transversal spectral distributions are discussed and the dependencies on momentum and nuclear density are investigated. Schrödinger-type omega +{}^{93}Nb optical potentials are constructed. Low-energy parameters are determined, are used to study the pole structure of the S-matrix at threshold. The effective range expansion of the omega-nucleus K-matrix led to a omega +{}^{93}Nb bound states with binding energy Re(varepsilon _B)=-448 keV but of width Gamma _B=4445 keV.

Friedel oscillation in non-Fermi liquid: lesson from exactly solvable Hatsugai–Kohmoto model

When non-magnetic impurity immerses in Fermi sea, a regular modulation of charge density around impurity will appear and such phenomena is called Friedel oscillation (FO). Although both Luttinger liquid and Landau Fermi liquid show such characteristic oscillation, FO in generic non-Fermi liquid (NFL) phase is still largely unknown. Here, we show that FO indeed exists in NFL state of an exactly solvable model, i.e. the Hatsugai–Kohmoto model which has been intensively explored in recent years. Combining T-matrix approximation and linear-response-theory, an interesting picture emerges, if two interaction-induced quasi-particles bands in NFL are partially occupied, FO in this situation is determined by a novel structure in momentum space, i.e. the ‘average Fermi surface’ (average over two quasi-particle Fermi surface), which highlights the inter-band particle-hole excitation. We hope our study here provides a counterintuitive example in which FO with Fermi surface coexists with NFL quasi-particle, and it may be useful to detect hidden ‘average Fermi surface’ structure in other correlated electron systems.

Molecular Control of Floquet Topological Phase in Non-adiabatic Thouless Pumping.

Non-adiabatic Thouless pumping of electrons is studied in the framework of topological Floquet engineering, particularly with a focus on how atomistic changes to chemical moieties control the emergence of the Floquet topological phase. We employ real-time time-dependent density functional theory to investigate the extent to which the topological invariant, the winding number, is impacted by molecular-level changes to trans-polyacetylene. In particular, several substitutions to trans-polyacetylene are studied to examine different effects on the electronic structure, including the mesomeric effect, inductive effect, and electron conjugation effect. Maximally localized Wannier functions are employed to relate the winding number to the valence bond description by expressing the topological pumping as the transport dynamics of the localized Wannier functions. By further exploiting the gauge invariance of the quantum dynamics in terms of the minimal particle-hole excitations, the topological pumping of electrons can be also represented as a cyclic transition among the bonding and antibonding orbitals. Having connected the topological invariant to the chemical concepts, we demonstrate molecular-level control of the emergence of the Floquet topological phase, presenting an exciting opportunity for the intuitive engineering of molecular systems with such an exotic topological phase.

Shape Coexistence in Even–Even Nuclei: A Theoretical Overview

The last decade has seen a rapid growth in our understanding of the microscopic origins of shape coexistence, assisted by the new data provided by the modern radioactive ion beam facilities built worldwide. Islands of the nuclear chart in which shape coexistence can occur have been identified, and the different microscopic particle–hole excitation mechanisms leading to neutron-induced or proton-induced shape coexistence have been clarified. The relation of shape coexistence to the islands of inversion, appearing in light nuclei, to the new spin-aligned phase appearing in N=Z nuclei, as well as to shape/phase transitions occurring in medium mass and heavy nuclei, has been understood. In the present review, these developments are considered within the shell-model and mean-field approaches, as well as by symmetry methods. In addition, based on systematics of data, as well as on symmetry considerations, quantitative rules are developed, predicting regions in which shape coexistence can appear, as a possible guide for further experimental efforts that can help in improving our understanding of the details of the nucleon–nucleon interaction, as well as of its modifications occurring far from stability.

Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids.

We implement the phaseless auxiliary field quantum Monte Carlo method using the plane-wave based projector augmented wave method and explore the accuracy and the feasibility of applying our implementation to solids. We use a singular value decomposition to compress the two-body Hamiltonian and, thus, reduce the computational cost. Consistent correlation energies from the primitive-cell sampling and the corresponding supercell calculations numerically verify our implementation. We calculate the equation of state for diamond and the correlation energies for a range of prototypical solid materials. A down-sampling technique along with natural orbitals accelerates the convergence with respect to the number of orbitals and crystal momentum points. We illustrate the competitiveness of our implementation in accuracy and computational cost for dense crystal momentum point meshes compared to a well-established quantum-chemistry approach, the coupled-cluster ansatz including singles, doubles, and perturbative triple particle-hole excitation operators.

Jamming and unusual charge density fluctuations of strange metals

The strange metallic regime across a number of high-temperature superconducting materials presents numerous challenges to the classic theory of Fermi liquid metals. Recent measurements of the dynamical charge response of strange metals, including optimally doped cuprates, have revealed a broad, featureless continuum of excitations, extending over much of the Brillouin zone. The collective density oscillations of this strange metal decay into the continuum in a manner that is at odds with the expectations of Fermi liquid theory. Inspired by these observations, we investigate the phenomenology of bosonic collective modes and the particle-hole excitations in a class of strange metals by making an analogy to the phonons of classical lattices falling apart across an unconventional jamming-like transition associated with the onset of rigidity. By making comparisons to the experimentally measured dynamical response functions, we reproduce many of the qualitative features using the above framework. We conjecture that the dynamics of electronic charge density over an intermediate range of energy scales in a class of strongly correlated metals can be at the brink of a jamming-like transition.

Signatures for shape coexistence and shape/phase transitions in even–even nuclei

Systematics of B(E2) transition rates connecting the first excited state to the first excited state of the ground state band in even–even nuclei indicates that shape coexistence of the ground state band and the first excited K = 0 band should be expected in nuclei lying within the stripes of nucleon numbers 7–8, 17–20, 34–40, 59–70, 96–112 predicted by the dual shell mechanism of the proxy-SU(3) model, avoiding their junctions, within which high deformation is expected. Systematics of the excitation energies of the states in even–even nuclei show that shape coexistence due to proton-induced neutron particle-hole excitations is related to a first-order shape/phase transition from spherical to deformed shapes, while shape coexistence due to neutron-induced proton particle-hole excitations is observed along major proton shell closures.

Itinerant ferromagnetism in SU(N)-symmetric fermi gases at finite temperature: first order phase transitions and time-reversal symmetry

At temperatures well below the Fermi temperature T F , the coupling of magnetic fluctuations to particle-hole excitations in a two-component Fermi gas leads to non-analytic corrections in the renormalized free energy and makes the transition to itinerant ferromagnetism first order. On the other hand, despite that larger symmetry often introduces larger degeneracies in the low-lying states, here we show that for a Fermi gas with SU(N > 2)-symmetry in three space dimensions the ferromagnetic phase transition is first order in agreement with the predictions of Landau’s mean-field theory in its minimal formulation, which contains a cubic term in the free-energy (Cazalilla et al 2009 New J. Phys. 11 103033). By performing unrestricted Hartree–Fock calculations for an SU(N > 2)-symmetric Fermi gas with short range interactions, we find the order parameter undergoes a finite jump across the transition. In addition, for SU(N > 2) we do not observe any tri-critical point up to temperatures , for which the thermal smearing of the Fermi surface and thermal fluctuations are substantial. Going beyond mean-field theory, we find that the coupling of magnetic fluctuations to particle-hole excitations makes the transition more abrupt and further enhances the tendency of the gas to become fully polarized for smaller values of N and the gas parameter . In our study, we also clarify the role of time reversal symmetry in the microscopic Hamiltonian and obtain the temperature dependence of Tan’s contact. For the latter, the presence of the tri-critical point for N = 2 leads to a more pronounced temperature dependence around the transition than for SU(N > 2)-symmetric gases. Although the results are obtained for a microscopic model relevant to ultracold atomic gases, they may also apply to models of solid state systems with SU(N > 2) symmetry provided Coulomb interactions are sufficiently well screened.

Collective excitations of the Chern-insulator states in commensurate double moiré superlattices of twisted bilayer graphene on hexagonal boron nitride

We study the collective excitation modes of the Chern insulator states in magic-angle twisted bilayer graphene aligned with hexagonal boron nitride (TBG/BN) at odd integer fillings ($\nu$) of the flat bands. For the $1 \times 1$ commensurate double moir\'{e} superlattices in TBG/BN at three twist angles ($\theta'$) between BN and graphene, self-consistent Hartree-Fock calculations show that the electron-electron interaction and the broken $C_{2z}$ symmetry lead to the Chern-insulator ground states with valley-spin flavor polarized HF bands at odd $\nu$. In the active-band approximation, the HF bands in the same flavor of TBG/BN are much more separated than those of the pristine TBG with TBG/BN having a larger intra-flavor band gap so that the energies of the lowest intra-flavor exciton modes of TBG/BN computed within the time-dependent HF method are much higher than those of TBG and reach about 20 meV, and the exciton wavefunctions of TBG/BN become less localized than those of TBG. The inter-flavor valley-wave modes in TBG/BN have excitation energies higher than 2.5 meV which is also much larger than that of TBG, while the spin-wave modes all have zero excitation gap. In contrast to TBG with particle-hole symmetric excitation modes for positive and negative $\nu$, the excitation spectrums and gaps of TBG/BN at positive $\nu$ are rather different from those at negative $\nu$. The quantitative behavior of the excitation spectrum of TBG/BN also varies with $\theta'$. Full HF calculations demonstrate that more HF bands besides the two central bands can have rather large contributions from the single-particle flat-band states, then the lowest exciton modes that determine the optical properties of the Chern insulator states in TBG/BN are generally the ones between the remote and flat-like bands, while the valley-wave modes have similar energies as those in the active-band approximation.

Merging of the island of inversion at N = 40 and N = 50

We performed a quantitative study of the nuclei with proton numbers from Z=20 (Ca) to Z=28 (Ni) and neutron numbers ranging from N=38 to 52 using the realistic shell model, which merged the descriptions of nuclei around N=40 and N=50 within an extended model space. The 21+ excitation energy (E(21+)) is calculated for neutron-rich Cr, Fe, and Ni isotopes. The results suggest that the islands of inversion at N=40 and N=50 merge around the Cr chain, and the N=50island of inversion is located below 78Ni. To demonstrate the prediction of the N=50island of inversion, we calculated and compared the E(21+), B(E2;01+→21+), effective single-particle energies (ESPEs), the probability of particle-hole excitation, and the average occupations in the N=40 and N=50 isotones. Similar parabolic trends of E(21+) and B(E2;01+→21+) in the N=40 and 50 isotones are obtained. The calculated ESPEs give that the N=40 and N=50 shell gaps both increase with the variation of proton number from Z=20 (Ca) to Z=28 (Ni). However, our calculations indicate that different particle-hole excitations dominate in the ground states of the N=40 and N=50islands of inversion, with 2p2h and 4p4h configurations being prominent in N=40 isotones, whereas 2p2h excitations are most important in the N=50 isotones. Furthermore, large occupations of the intruder quadrupole partner orbitals are also obtained in N=40 and N=50 isotones in our realistic shell model calculations.

Multibody expansion of the local integrals of motion: how many pairs of particle-hole do we really need to describe the quasiparticles in the many-body localized phase?

The emergent integrability in a many-body localized (MBL) system can be well characterized by the existence of the complete set of local integrals of motion (LIOMs). Such exactly conserved and exponentially localized operators are often understood as quasiparticle operators which can be expanded in terms of single-particle operators dressed with different numbers of particle-hole pairs. Here, we consider a one-dimensional XXZ spin- Heisenberg chain in the presence of a random field and try to quantify the corrections needed to be considered in the picture of quasiparticles associated with LIOMs due to the presence of particle-hole excitations. To this end, we explicitly present the multibody expansion of LIOM creation operators of the system in the MBL regime. We analytically obtain the coefficients of this expansion and discuss the effect of higher-order corrections associated with different numbers of particle-hole excitations. Our analysis shows that depending on the localization length of the system, there exist a regime in which the contributions that come from higher-order terms can break down the effective one-particle description of the LIOMs and such quasiparticles become essentially many-body-like.

Minimal one-dimensional model of bad metal behavior from fast particle-hole scattering

A strongly interacting plasma of linearly dispersing electron and hole excitations in two spatial dimensions (2D), also known as a Dirac fluid, can be captured by relativistic hydrodynamics and shares many universal features with other quantum critical systems. We propose a one-dimensional (1D) model to capture key aspects of the 2D Dirac fluid while including lattice effects and being amenable to non-perturbative computation. When interactions are added to the Dirac-like 1D dispersion without opening a gap, we show that this kind of irrelevant interaction is able to preserve Fermi-liquid-like quasi-particle features while relaxing a zero-momentum charge current via collisions between particle-hole excitations, leading to resistivity that is linear in temperature via a mechanism previously discussed for large-diameter metallic carbon nanotubes. We further provide a microscopic lattice model and obtain numerical results via density-matrix renormalization group (DMRG) simulations, which support the above physical picture. The limits on such fast relaxation at strong coupling are of considerable interest because of the ubiquity of bad metals in experiments.

CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations

Efficient quantum circuits are necessary for realizing quantum algorithms on noisy intermediate-scale quantum devices. Fermionic excitations entering unitary coupled-cluster (UCC) ansätze give rise to quantum circuits containing CNOT "staircases" whose number scales exponentially with the excitation rank. Recently, Yordanov et al. [Phys. Rev. A102, 062612 (2020); Commun. Phys.4, 228 (2021)] constructed CNOT-efficient quantum circuits for both Fermionic- (FEB) and qubit-excitation-based (QEB) singles and doubles and illustrated their usefulness in adaptive derivative-assembled pseudo-Trotterized variational quantum eigensolver (ADAPT-VQE) simulations. In this work, we extend these CNOT-efficient quantum circuits to arbitrary excitation ranks. To illustrate the benefits of these compact FEB and QEB quantum circuits, we perform numerical simulations using the recently developed selected projective quantum eigensolver (SPQE) approach, which relies on an adaptive UCC ansatz built from arbitrary-order particle-hole excitation operators. We show that both FEB- and QEB-SPQE decrease the number of CNOT gates compared to traditional SPQE by factors as large as 15. At the same time, QEB-SPQE requires, in general, more ansatz parameters than FEB-SPQE, in particular those corresponding to higher-than-double excitations, resulting in quantum circuits with larger CNOT counts. Although ADAPT-VQE generates quantum circuits with fewer CNOTs than SPQE, SPQE requires orders of magnitude less residual element evaluations than gradient element evaluations in ADAPT-VQE.

Thermodynamic Characteristic for a Correlated Flat-Band System with a Quantum Anomalous Hall Ground State.

While the ground-state phase diagram of the correlated flat-band systems has been intensively investigated, the dynamic and thermodynamic properties of such lattice models are less explored, but it is the latter which is most relevant to the experimental probes (transport, quantum capacitance, and spectroscopy) of the quantum moiré materials such as twisted bilayer graphene. Here we show, by means of momentum-space quantum MonteCarlo and exact diagonalization, in chiral limit there exists a unique thermodynamic characteristic for the correlated flat-band model with interaction-driven quantum anomalous Hall (QAH) ground state, namely, the transition from the QAH insulator to the metallic state takes place at a much lower temperature compared with the zero-temperature single-particle gap generated by the long-range Coulomb interaction. Such low transition temperature comes from the proliferation of excitonic particle-hole excitations, which transfers the electrons across the gap between different topological bands to restore the broken time-reversal symmetry and gives rise to a pronounced enhancement in the charge compressibility. Future experiments, to verify such generic thermodynamic characteristics, are proposed.