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At least 721 records · Page 40
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DOE OSTI2021

On exotic consistent anomalies in (1+1)$d$: A ghost story

We revisit ’t Hooft anomalies in (1+1) d d non-spin quantum field theory, starting from the consistency and locality conditions, and find that consistent U(1) and gravitational anomalies cannot always be canceled by properly quantized (2+1) d d classical Chern-Simons actions. On the one hand, we prove that certain exotic anomalies can only be realized by non-reflection-positive or non-compact theories; on the other hand, without insisting on reflection-positivity, the exotic anomalies present a caveat to the inflow paradigm. For the mixed U(1) gravitational anomaly, we propose an inflow mechanism involving a mixed U(1) \times × SO(2) classical Chern-Simons action with a boundary condition that matches the SO(2) gauge field with the (1+1) d d spin connection. Furthermore, we show that this mixed anomaly gives rise to an isotopy anomaly of U(1) topological defect lines. The isotopy anomaly can be canceled by an extrinsic curvature improvement term, but at the cost of creating a periodicity anomaly. We survey the holomorphic bc b c ghost system which realizes all the exotic consistent anomalies, and end with comments on a subtlety regarding the anomalies of finite subgroups of U(1).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Lefschetz thimble quantum Monte Carlo for spin systems

Monte Carlo simulations are useful tools for modeling quantum systems, but in some cases they suffer from a sign problem, leading to an exponential slow down in their convergence to a value. While solving the sign problem is generically NP hard, many techniques exist for mitigating the sign problem in specific cases; in particular, the technique of deforming the Monte Carlo simulation's plane of integration onto Lefschetz thimbles (complex hypersurfaces of stationary phase) has seen significant success in the context of quantum field theories. We extend this methodology to spin systems by utilizing spin coherent state path integrals to reexpress the spin system's partition function in terms of continuous variables. Using some toy systems, we demonstrate its effectiveness at lessening the sign problem in this setting, despite the fact that the initial mapping to spin coherent states introduces its own sign problem. The standard formulation of the spin coherent path integral is known to make use of uncontrolled approximations; despite this, for large spins they are typically considered to yield accurate results, so it is somewhat surprising that our results show significant systematic errors. Furthermore, possibly of independent interest, our use of Lefschetz thimbles to overcome the intrinsic sign problem in spin coherent state path integral Monte Carlo enables a novel numerical demonstration of a breakdown in the spin coherent path integral.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Quantum real-time evolution of entanglement and hadronization in jet production: Lessons from the massive Schwinger model

The possible link between entanglement and thermalization, and the dynamics of hadronization are addressed by studying the real-time response of the massive Schwinger model coupled to external sources. This setup mimics the production and fragmentation of quark jets, as the Schwinger model and quantum chromodynamics (QCD) share the properties of confinement and chiral symmetry breaking. By using simulations of quantum dynamics on classical hardware, we study the entanglement between the produced jets, and observe the growth of the corresponding entanglement entropy in time. This growth arises from the increased number of contributing eigenstates of the reduced density matrix with sufficiently large and close eigenvalues. We also investigate the physical nature of these eigenstates, and find that at early times they correspond to fermionic Fock states. We then observe the transition from these fermionic Fock states to mesonlike bound states as a function of time. In other words, we observe how hadronization develops in real time. At late times, the local observables at midrapidity (such as the fermion density and the electric field) approach approximately constant values, suggesting the onset of equilibrium and approach to thermalization. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Scattering amplitudes for all masses and spins

We introduce a formalism for describing four-dimensional scattering amplitudes for particles of any mass and spin. This naturally extends the familiar spinor-helicity formalism for massless particles to one where these variables carry an extra SU(2) little group index for massive particles, with the amplitudes for spin Sparticles transforming as symmetric rank 2S tensors. We systematically characterise all possible three particle amplitudes compatible with Poincare symmetry. Unitarity, in the form of consistent factorization, imposes algebraic conditions that can be used to construct all possible four-particle tree amplitudes. This also gives us a convenient basis in which to expand all possible four-particle amplitudes in terms of what can be called “spinning polynomials”. Many general results of quantum field theory follow the analysis of four-particle scattering, ranging from the set of all possible consistent theories for massless particles, to spin-statistics, and the Weinberg-Witten theorem. We also find a transparent understanding for why massive particles of sufficiently high spin cannot be “elementary”. The Higgs and Super-Higgs mechanisms are naturally discovered as an infrared unification of many disparate helicity amplitudes into a smaller number of massive amplitudes, with a simple understanding for why this can’t be extended to Higgsing for gravitons. We illustrate a number of applications of the formalism at one-loop, giving few-line computations of the electron (g - 2) as well as the beta function and rational terms in QCD. “Off-shell” observables like correlation functions and form-factors can be thought of as scattering amplitudes with external “probe” particles of general mass and spin, so all these objects — amplitudes, form factors and correlators, can be studied from a common on-shell perspective.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Signatures of vacuum birefringence in low-power flying focus pulses

Vacuum birefringence produces a differential phase between orthogonally polarized components of a weak electromagnetic probe in the presence of a strong electromagnetic field. Despite representing a hallmark prediction of quantum electrodynamics, vacuum birefringence remains untested in pure light configurations due to the extremely large electromagnetic fields required for a detectable phase difference. Here, we exploit the programmable focal velocity and extended focal range of a flying focus laser pulse to substantially lower the laser power required for detection of vacuum birefringence. In the proposed scheme, a linearly polarized x-ray probe pulse counterpropagates with respect to a flying focus pulse, whose focus moves at the speed of light in the same direction as the x-ray probe. The peak intensity of the flying focus pulse overlaps the probe over millimeter-scale distances and induces a polarization ellipticity on the order of 10 − 10 , which lies within the detection sensitivity of existing x-ray polarimeters. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Entanglement masquerading in the CMB

The simplest single-field inflation models capture all the relevant contributions to the patterns in the Cosmic Microwave Background (CMB) observed today. A key assumption in these models is that the quantum inflationary fluctuations that source such patterns are generated by a particular quantum state — the Bunch-Davies (BD) state. While this is a well-motivated choice from a theoretical perspective, the question arises of whether current data can rule out other, also well motivated, choices of states. In particular, as we previously demonstrated in [1], entanglement is naturally and inevitably dynamically generated during inflation given the presence of a "rolling" spectator scalar field — and the resulting entangled state will yield a primordial power spectrum with potentially measurable deviations compared to the canonical BD result. For this work we developed a perturbative framework to allow a systematic exploration of constraints on (or detection of) entangled states with Planck CMB data using Monte Carlo techniques. We have found that most entangled states accessible with our framework are consistent with the data. One would have to expand the framework to allow a greater variety of entangled states in order to saturate the Planck constraints and more systematically explore any preferences the data may have among the different possibilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Dynamical dark energy from lattice quantum gravity

We study the behavior of the vacuum in Euclidean dynamical triangulations (EDT). Algorithmic improvements and better lattice spacing determinations allow us to test the properties of the emergent de Sitter geometries of our simulations to higher precision than previously possible. Although the agreement with de Sitter is good, the improved precision reveals deviations that can be interpreted as nontrivial vacuum dynamics, well described by a cosmological constant that runs with scale. The simulations show that the dominant running is quadratic and that the scale can be identified with the Hubble rate. Several key cross-checks support this picture, including consistent results across multiple lattice spacings and the fact that the null energy condition is not violated. The parameters of the running are fully determined by simulations, enabling predictions when extrapolated to the scales relevant for our Universe. This leads to a model for dark energy that is compatible with current observations, but which predicts deviations from the Standard Model of cosmology at the 𝒪⁡(10 −3 ) level in observables that could be tested with future improvements in precision measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Simplified projection on total spin zero for state preparation on quantum computers

Here, we introduce a simple algorithm for projecting on J = 0 states of a many-body system by performing a series of rotations to remove states with angular momentum projections greater than zero. Existing methods rely on unitary evolution with the two-body operator J 2 , which when expressed in the computational basis contains many complicated Pauli strings requiring Trotterization and leading to very deep quantum circuits. Our approach performs the necessary projections using the one-body operators J x and J z . By leveraging the method of Cartan decomposition, the unitary transformations that perform the projection can be parametrized as a product of a small number of two-qubit rotations, with angles determined by an efficient classical optimization. Given the reduced complexity in terms of gates, this approach can be used to prepare approximate ground states of even-even nuclei by projecting onto the J = 0 component of deformed Hartree-Fock states. We estimate the resource requirements in terms of the universal gate set {H,S, CNOT ,T} and briefly discuss a variant of the algorithm that projects onto J = 1/2 states of a system with an odd number of fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Real classical shadows

Efficiently learning expectation values of a quantum state using classical shadow tomography has become a fundamental task in quantum information theory. In a classical shadows protocol, one measures a state in a chosen basis $\mathcal{W}$ after it has evolved under a unitary transformation randomly sampled from a chosen distribution $\mathcal{U}$. In this work we study the case where $\mathcal{U}$ corresponds to either local or global orthogonal Clifford gates, and $\mathcal{W}$ consists of real-valued vectors. Our results show that for various situations of interest, this ‘real’ classical shadow protocol improves the sample complexity over the standard scheme based on general Clifford unitaries. For example, when one is interested in estimating the expectation values of arbitrary real-valued observables, global orthogonal Cliffords typically decrease the required number of samples by a factor of two. More dramatically, for k-local observables composed only of real-valued Pauli operators, sampling local orthogonal Cliffords leads to a reduction by an exponential-in-k factor in the sample complexity over local unitary Cliffords. Finally, we show that by measuring in a basis containing complex-valued vectors, orthogonal shadows can, in the limit of large system size, exactly reproduce the original unitary shadows protocol.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Quantum state preparation with resolution refinement

We introduce a method called resolution refinement that allows one to bootstrap eigenstate preparation on a quantum computer. We first prepare an eigenstate of a low-resolution Hamiltonian using any method of choice. The eigenstate is then lifted to higher resolution and adiabatically evolved to produce the corresponding eigenstate of a higher-fidelity Hamiltonian. We give examples of resolution refinement applied to both single-particle basis states as well as a spatial lattice grid. For basis refinement, we compute few-body ground states of the Busch model for interacting particles in a harmonic trap in one dimension. For lattice refinement, we compute Hartree-Fock nuclear states for a central Woods-Saxon potential in three dimensions, and we compute bound states and continuum states in a multi-species Hubbard model of fermions in one dimension. In all cases, the method is efficient and requires an adiabatic evolution time that scales with the inverse of the energy gap times the square root of the system size. We show that this very favorable scaling arises from the fact that resolution refinement does not make large changes to the structure or energies of the low-energy eigenstates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu

Plutonium's radioactivity provides functionality for nuclear batteries, nuclear reactors, etc., but its complex electronic properties harbor strongly correlated behavior giving rise to a host of interesting phenomena including the presence of a ca. 25% volume collapse between δ-Pu and α-Pu. The complex bonding environments of the ground state allotrope, α-Pu, serve as a unique testing ground for new computational and experimental approaches within the Pu science community. For the first time, a combination of novel ansatzes is used in all-electron density functional theory (DFT) and pair distribution functions (PDF) obtained from high-Q X-ray diffraction to study the bonding behavior in α-Pu. This first experimental and theoretical co-informed description of local bonding behavior for α-Pu reveals covalent bonds, which is a topic that remains of interest in this allotrope. The covalent bonding present at the atomistic level accounts for several of α-Pu's macropscopic properties (e.g., Poisson's ratio) that in turn explains its physical functionalities relative to other allotropic phases like δ-Pu.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding flavin electronic structure and spectra

Abstract Flavins have emerged as central to electron bifurcation, signaling, and countless enzymatic reactions. In bifurcation, two electrons acquired as a pair are separated in coupled transfers wherein the energy of both is concentrated on one of the two. This enables organisms to drive demanding reactions based on abundant low‐grade chemical fuel. To enable incorporation of this and other flavin capabilities into designed materials and devices, it is essential to understand fundamental principles of flavin electronic structure that make flavins so reactive and tunable by interactions with protein. Emerging computational tools can now replicate spectra of flavins and are gaining capacity to explain reactivity at atomistic resolution, based on electronic structures. Such fundamental understanding can moreover be transferrable to other chemical systems. A variety of computational innovations have been critical in reproducing experimental properties of flavins including their electronic spectra, vibrational signatures, and nuclear magnetic resonance (NMR) chemical shifts. A computational toolbox for understanding flavin reactivity moreover must be able to treat all five oxidation and protonation states, in addition to excited states that participate in flavoprotein's light‐driven reactions. Therefore, we compare emerging hybrid strategies and their successes in replicating effects of hydrogen bonding, the surrounding dielectric, and local electrostatics. These contribute to the protein's ability to modulate flavin reactivity, so we conclude with a survey of methods for incorporating the effects of the protein residues explicitly, as well as local dynamics. Computation is poised to elucidate the factors that affect a bound flavin's ability to mediate stunningly diverse reactions, and make life possible. This article is categorized under: Structure and Mechanism > Computational Biochemistry and Biophysics Electronic Structure Theory > Combined QM/MM Methods Theoretical and Physical Chemistry > Spectroscopy

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Non-standard axion electrodynamics and the dual Witten effect

Standard axion electrodynamics has two closely related features. First, the coupling of a massless axion field to photons is quantized, in units proportional to the electric gauge coupling squared. Second, the equations of motion tell us that a time-dependent axion field in a background magnetic field sources an effective electric current, but a time-dependent axion field in a background electric field has no effect. These properties, which manifestly violate electric-magnetic duality, play a crucial role in experimental searches for axions. Recently, electric-magnetic duality has been used to motivate the possible existence of non-standard axion couplings, which can both violate the usual quantization rule and exchange the roles of electric and magnetic fields in axion electrodynamics. We show that these non-standard couplings can be derived from SL(2,Z) duality, but that they come at a substantial cost: in non-standard axion electrodynamics, all electrically charged particles become dyons when the axion traverses its field range, in a dual form of the standard Witten effect monodromy. This implies that there are dyons near the weak scale, leads to a large axion mass induced by Standard Model fermion loops, and dramatically alters Higgs physics. We conclude that non-standard axion electrodynamics, although interesting to consider in abstract quantum field theory, is not phenomenologically viable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

What can be measured asymptotically?

We consider asymptotic observables in quantum field theories in which the S-matrix makes sense. We argue that in addition to scattering amplitudes, a whole compendium of inclusive observables exists where the time-ordering is relaxed. These include expectation values of electromagnetic or gravitational radiation fields as well as out-of-time-order amplitudes. We explain how to calculate them in two ways: by relating them to amplitudes and products of amplitudes, and by using a generalization of the LSZ reduction formula. As an application, we discuss one-loop master integrals contributing to gravitational radiation in the post-Minkowski expansion, emphasizing the role of classical cut contributions and highlighting the different infrared physics of in-in observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Entanglement and confinement in coupled quantum systems

We study some general properties of coupled quantum systems. We consider simple interactions between two copies of identical Hamiltonians such as the SYK model, Pauli spin chains with random magnetic field and harmonic oscillators. Such couplings make the ground states close to the thermofield double states of the uncoupled Hamiltonians. For the coupled SYK model, we push the numerical computation further towards the thermodynamic limit so that an extrapolation in the size of the system is possible. We find good agreement between the extrapolated numerical result and the analytic result in the large-q limit. We also consider the coupled gauged matrix model and vector model, and argue that the deconfinement is associated with the loss of the entanglement, similarly to the previous observation for the coupled SYK model. The understanding of the microscopic mechanism of the confinement/deconfinement transition enables us to estimate the quantum entanglement precisely, and backs up the dual gravity interpretation which relates the deconfinement to the disappearance of the wormhole. Our results demonstrate the importance of the entanglement between the color degrees of freedom in the emergence of the bulk geometry from quantum field theory via holography.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Gluing. Part I. Integrals and symmetries

We review some aspects of the cutting and gluing law in local quantum field theory (QFT) and study it from a new point of view. In particular, we emphasize the description of gluing by a path integral over a space of polarized boundary conditions, which are given by leaves of some Lagrangian foliation in the phase space. We think of this path integral as a non-local (d – 1)-dimensional gluing theory associated to the parent local d-dimensional QFT. This is a novel point of view paving the way for applications of the standard QFT techniques (that do not rely on locality) to the gluing theory. We describe various properties of this procedure and spell out conditions under which symmetries of the parent theory lead to symmetries of the gluing theory. The purpose of this paper is to set up a playground for the companion paper where these techniques are applied to obtain new results in supersymmetric theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Unveiling horizons in quantum critical collapse

Critical gravitational collapse offers a unique window into regimes of arbitrarily high curvature, culminating in a naked singularity arising from smooth initial data — thus providing a dynamical counterexample to weak cosmic censorship. Near the critical regime, quantum effects from the collapsing matter are expected to intervene before full quantum gravity resolves the singularity. Despite its fundamental significance, a self-consistent treatment has so far remained elusive. In this work, we perform a one-loop semiclassical analysis using the robust anomaly-based method in the canonical setup of Einstein gravity minimally coupled to a free, massless scalar field. Focusing on explicitly solvable near-critical solutions in both 2 + 1 and 3 + 1 dimensions, we analytically solve the semiclassical Einstein equations and obtain controlled, quantitative results for several long-standing questions within the dominant s-wave sector. We find that regularity uniquely selects a Boulware-like quantum state, encoding genuine vacuum polarization effects from the collapsing matter. Remarkably, the resulting quantum corrections manifest as a growing mode. Horizon-tracing analyses, incorporating both classical and quantum modes, reveal the emergence of a finite mass gap, signaling a phase transition from classical Type II to quantum-modified Type I behavior, thereby providing a quantum enforcement of the weak cosmic censorship. The most non-trivial aspect of our analysis involves dealing with non-conformal matter fields in explicitly time-dependent critical spacetimes. Along the way, we uncover intriguing and previously underexplored features of quantum field theory in curved spacetime.

2D Gravity↗
DOE OSTI2025

Dirac traces and the Tutte polynomial

Perturbative calculations involving fermion loops in quantum field theories require tracing over Dirac matrices. A simple way to regulate the divergences that generically appear in these calculations is dimensional regularisation, which has the consequence of replacing 4-dimensional Dirac matrices with d-dimensional counterparts for arbitrary complex values of d. In this work, a connection between traces of d-dimensional Dirac matrices and computations of the Tutte polynomial of associated graphs is proven. The time complexity of computing Dirac traces is analysed by this connection, and improvements to algorithms for computing Dirac traces are proposed.

Renormalization and Regularization↗