Terms Of Hamiltonian Research Articles

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe_{2}.

The extraordinary properties of the Kitaev model have motivated an intense search for new physics in materials that combine geometrical and bond frustration. In this Letter, we employ inelastic neutron scattering, spin wave theory, and exact diagonalization to study the spin dynamics in the perfect triangular-lattice antiferromagnet (TLAF) CsCeSe_{2}. This material orders into a stripe phase, which is demonstrated to arise as a consequence of the off-diagonal bond-dependent terms in the spin Hamiltonian. By studying the spin dynamics at intermediate fields, we identify an interaction between the single-magnon state and the two-magnon continuum that causes decay of coherent magnon excitations, level repulsion, and transfer of spectral weight to the continuum that are controlled by the strength of the magnetic field. Our results provide a microscopic mechanism for the stabilization of the stripe phase in TLAF and show how complex many-body physics can be present in the spin dynamics in a magnet with strong Kitaev coupling even in an ordered ground state.

Estimation of Hamiltonian Parameters from Thermal States.

We upper bound and lower bound the optimal precision with which one can estimate an unknown Hamiltonian parameter via measurements of Gibbs thermal states with a known temperature. The bounds depend on the uncertainty in the Hamiltonian term that contains the parameter and on the term's degree of noncommutativity with the full Hamiltonian: higher uncertainty and commuting operators lead to better precision. We apply the bounds to show that there exist entangled thermal states such that the parameter can be estimated with an error that decreases faster than 1/sqrt[n], beating the standard quantum limit. This result governs Hamiltonians where an unknown scalar parameter (e.g., a component of a magnetic field) is coupled locally and identically to n qubit sensors. In the high-temperature regime, our bounds allow for pinpointing the optimal estimation error, up to a constant prefactor. Our bounds generalize to joint estimations of multiple parameters. In this setting, we recover the high-temperature sample scaling derived previously via techniques based on quantum state discrimination and coding theory. In an application, we show that noncommuting conserved quantities hinder the estimation of chemical potentials.

Beyond quantum annealing: optimal control solutions to maxcut problems

Quantum Annealing (QA) relies on mixing two Hamiltonian terms, a simple driver and a complex problem Hamiltonian, in a linear combination. The time-dependent schedule for this mixing is often taken to be linear in time: improving on this linear choice is known to be essential and has proven to be difficult. Here, we present different techniques for improving on the linear-schedule QA along two directions, conceptually distinct but leading to similar outcomes: 1) the first approach consists of constructing a Trotter-digitized QA (dQA) with schedules parameterized in terms of Fourier modes or Chebyshev polynomials, inspired by the Chopped Random Basis algorithm for optimal control in continuous time; 2) the second approach is technically a Quantum Approximate Optimization Algorithm (QAOA), whose solutions are found iteratively using linear interpolation or expansion in Fourier modes. Both approaches emphasize finding smooth optimal schedule parameters, ultimately leading to hybrid quantum–classical variational algorithms of the alternating Hamiltonian Ansatz type. We apply these techniques to MaxCut problems on weighted 3-regular graphs with N = 14 sites, focusing on hard instances that exhibit a small spectral gap, for which a standard linear-schedule QA performs poorly. We characterize the physics behind the optimal protocols for both the dQA and QAOA approaches, discovering shortcuts to adiabaticity-like dynamics. Furthermore, we study the transferability of such smooth solutions among hard instances of MaxCut at different circuit depths. Finally, we show that the smoothness pattern of these protocols obtained in a digital setting enables us to adapt them to continuous-time evolution, contrarily to generic non-smooth solutions. This procedure results in an optimized QA schedule that is implementable on analog devices.

Interplay between charge and spin noise in the near-surface theory of decoherence and relaxation of C3v symmetry qutrit spin-1 centers

Decoherence and relaxation of solid-state defect qutrits near a crystal surface, where they are commonly used as quantum sensors, originate from charge and magnetic field noise. A complete theory requires a formalism for decoherence and relaxation that includes all Hamiltonian terms allowed by the defect's point-group symmetry. This formalism, presented here for the C3v symmetry of a spin-1 defect in a diamond, silicon carbide, or similar host, relies on a Lindblad dynamical equation and clarifies the relative contributions of charge and spin noise to relaxation and decoherence, along with their dependence on the defect spin's depth and resonant frequencies. The calculations agree with the experimental measurements of Sangtawesin [], and corroborate the importance of charge noise. Published by the American Physical Society 2024

Wavefunction collapse driven by non-Hermitian disturbance

In the context of the measurement problem, we propose to model the interaction between a quantum particle and an ‘apparatus’ through a non-Hermitian Hamiltonian term. We simulate the time evolution of a normalized quantum state split into two spin components (via a Stern–Gerlach experiment) and that undergoes a wavefunction collapse driven by a non-Hermitian Hatano-Nelson Hamiltonian. We further analyze how the strength and other parameters of the non-Hermitian perturbation influence the time-to-collapse of the wave function obtained under a Schödinger-type evolution. We finally discuss a thought experiment where manipulation of the apparatus could challenge standard quantum mechanics predictions.

Strong-coupling critical behavior in three-dimensional lattice Abelian gauge models with charged N-component scalar fields and SO(N) symmetry.

We consider a three-dimensional lattice Abelian Higgs gauge model for a charged N-component scalar field ϕ, which is invariant under SO(N) global transformations for generic values of the parameters. We focus on the strong-coupling regime, in which the kinetic Hamiltonian term for the gauge field is a small perturbation, which is irrelevant for the critical behavior. The Hamiltonian depends on a parameter v, which determines the global symmetry of the model and the symmetry of the low-temperature phases. We present renormalization-group predictions, based on a Landau-Ginzburg-Wilson effective description that relies on the identification of the appropriate order parameter and on the symmetry-breaking patterns that occur at the strong-coupling phase transitions. For v=0, the global symmetry group of the model is SU(N); the corresponding model may undergo continuous transitions only for N=2. For v≠0, i.e., in the SO(N) symmetric case, continuous transitions (in the Heisenberg universality class) are possible also for N=3 and 4. We perform Monte Carlo simulations for N=2,3,4,6, to verify the renormalization-group predictions. Finite-size scaling analyses of the numerical data are in full agreement.

Exergy and dynamics analyses in centrifugal turbomachinery pressurized long-distance natural gas pipelines based on Hamiltonian model

Natural gas pipelines represent intricate systems comprising diverse components, which is crucial to industry, yet demanding substantial energy consumption. However, the nuanced energy and exergy transfer dynamics within these pipelines, particularly during dynamic processes, remain relatively unexplored. Given the distributed nature and complicated component coupling among pipeline elements, coolers, and compressors, traditional energy analysis tools face challenges in their application. In this study, we introduce a novel approach utilizing Hamiltonian formalism to establish an energy and exergy analysis framework for natural gas pipelines. Specifically, we develop Hamiltonian energy functions for various components, including pipes, centrifugal compressors, and coolers, accounting for dynamic mechanisms. Through comprehensive simulations covering static and dynamic scenarios, we elucidate energy and exergy transfer processes, leveraging Hamiltonian energy function terms. Our findings validate the efficacy of the proposed analysis framework in accurately characterizing energy transfer and dissipation processes. Furthermore, validation with field data demonstrates the capability of our method to online exhibit energy transfer features effectively.

Generalized Kitaev spin liquid model and emergent twist defect

The Kitaev spin liquid model on a honeycomb lattice offers an intriguing feature that encapsulates both Abelian and non-Abelian phases (Alexei Kitaev, 2006). Recent studies suggest that the comprehensive phase diagram of the possible generalized Kitaev model largely depends on the specific details of the discrete lattice, which somewhat deviates from the traditional understanding of “topological” phases. In this paper, we propose an adapted version of the Kitaev spin liquid model on arbitrary planar lattices. Our revised model recovers the surface code model under certain parameter selections within the Hamiltonian terms. Changes in parameters can initiate the emergence of holes, domain walls, or twist defects. Notably, the twist defect, which presents as a lattice dislocation defect, exhibits non-Abelian braiding statistics upon tuning the coefficients of the Hamiltonian. Additionally, we illustrate that the creation, movement, and fusion of these defects can be accomplished through natural time evolution by linearly interpolating the static Hamiltonian. These defects demonstrate the Ising anyon fusion rule as anticipated. Our findings hint at possible implementation in actual physical materials owing to a more realistically achievable two-body interaction.

Long-Range Effects in Topologically Defective Arm-Chair Graphene Nanoribbons.

The electronic structure of 7/9-AGNR superlattices with up to eight unit cells has been studied by means of state-of-the-art Density Functional Theory (DFT) and also by two model Hamiltonians, the first one including only local interactions (Hubbard model, Hu) while the second one is extended to allow long-range Coulomb interactions (Pariser, Parr and Pople model, PPP). Both are solved within mean field approximation. At this approximation level, our calculations show that 7/9 interfaces are better described by spin non-polarized solutions than by spin-polarized wavefunctions. Consequently, both Hu and PPP Hamiltonians lead to electronic structures characterized by a gap at the Fermi level that diminishes as the size of the system increases. DFT results show similar trends although a detailed analysis of the density of states around the Fermi level shows quantitative differences with both Hu and PPP models. Before improving model Hamiltonians, we interpret the electronic structure obtained by DFT in terms of bands of topological states: topological states localized at the system edges and extended bulk topological states that interact between them due to the long-range Coulomb terms of Hamiltonian. After careful analysis of the interaction among topological states, we find that the discrepancy between ab initio and model Hamiltonians can be resolved considering a screened long-range interaction that is implemented by adding an exponential cutoff to the interaction term of the PPP model. In this way, an adjusted cutoff distance λ=2 allows a good recovery of DFT results. In view of this, we conclude that the correct description of the density of states around the Fermi level (Dirac point) needs the inclusion of long-range interactions well beyond the Hubbard model but not completely unscreened as is the case for the PPP model.

The Gauge Picture of Quantum Dynamics

Although local Hamiltonians exhibit local time dynamics, this locality is not explicit in the Schrödinger picture in the sense that the wavefunction amplitudes do not obey a local equation of motion. We show that geometric locality can be achieved explicitly in the equations of motion by "gauging" the global unitary invariance of quantum mechanics into a local gauge invariance. That is, expectation values ⟨ψ|A|ψ⟩ are invariant under a global unitary transformation acting on the wavefunction |ψ⟩→U|ψ⟩ and operators A→UAU†, and we show that it is possible to gauge this global invariance into a local gauge invariance. To do this, we replace the wavefunction with a collection of local wavefunctions |ψJ⟩, one for each patch of space J. The collection of spatial patches is chosen to cover the space; e.g. we could choose the patches to be single qubits or nearest-neighbor sites on a lattice. Local wavefunctions associated with neighboring pairs of spatial patches I and J are related to each other by dynamical unitary transformations UIJ. The local wavefunctions are local in the sense that their dynamics are local. That is, the equations of motion for the local wavefunctions |ψJ⟩ and connections UIJ are explicitly local in space and only depend on nearby Hamiltonian terms. (The local wavefunctions are many-body wavefunctions and have the same Hilbert space dimension as the usual wavefunction.) We call this picture of quantum dynamics the gauge picture since it exhibits a local gauge invariance. The local dynamics of a single spatial patch is related to the interaction picture, where the interaction Hamiltonian consists of only nearby Hamiltonian terms. We can also generalize the explicit locality to include locality in local charge and energy densities.

Optimizing Shot Assignment in Variational Quantum Eigensolver Measurement.

Variational quantum eigensolvers (VQEs) show promise for tackling complex quantum chemistry challenges and realizing quantum advantages. However, in VQE, the measurement step encounters difficulties due to errors in objective function evaluation, e.g., the energy of a quantum state. While increasing the number of measurement shots can mitigate measurement errors, this approach leads to higher costs. Strategies for shot assignment have been investigated, allowing for the allocation of varying shot numbers to different Hamiltonian terms and reducing measurement variance through term-specific insights. In this paper, we introduce a dynamic approach, the Variance-Preserved Shot Reduction (VPSR) method. This technique strives to minimize the total number of measurement shots while preserving the variance of measurements throughout the VQE process. Our numerical experiments on H2 and LiH molecular ground states demonstrate the effectiveness of VPSR in achieving VQE convergence with a notably lower shot count.

Criteria for Davies irreducibility of Markovian quantum dynamics

The dynamics of Markovian open quantum systems are described by Lindblad master equations, generating a quantum dynamical semigroup. An important concept for such systems is (Davies) irreducibility, i.e. the question whether there exist non-trivial invariant subspaces. Steady states of irreducible systems are unique and faithful, i.e. they have full rank. In the 1970s, Frigerio showed that a system is irreducible if the Lindblad operators span a self-adjoint set with trivial commutant. We discuss a more general and powerful algebraic criterion, showing that a system is irreducible if and only if the multiplicative algebra generated by the Lindblad operators La and the operator iH+∑aLa†La , involving the Hamiltonian H, is the entire operator space. Examples for two-level systems, show that a change of Hamiltonian terms as well as the addition or removal of dissipators can render a reducible system irreducible and vice versa. Examples for many-body systems show that a large class of spin chains can be rendered irreducible by dissipators on just one or two sites. Additionally, we discuss the decisive differences between (Davies) reducibility and Evans reducibility for quantum channels and dynamical semigroups which has lead to some confusion in the recent physics literature, especially, in the context of boundary-driven systems. We give a criterion for quantum reducibility in terms of associated classical Markov processes and, lastly, discuss the relation of the main result to the stabilization of pure states and argue that systems with local Lindblad operators cannot stabilize pure Fermi-sea states.

Calderón–Zygmund estimates for the fully nonlinear obstacle problem with super-linear Hamiltonian terms and unbounded ingredients

Calderón–Zygmund estimates for the fully nonlinear obstacle problem with super-linear Hamiltonian terms and unbounded ingredients

Anisotropic Josephson Diode Effect in the Topological Hybrid Junctions with the Hexagonal Warping

Recently the diode effect in superconductivity became an active area of research. In particular, the three-dimensional topological insulators may be one of the most suitable materials to implement the superconducting diodes. It is common to consider only linear and quadratic terms of the topological insulator Hamiltonian in the low energy expansion. Typically the effect of the hexagonal warping is neglected. However, the hexagonal warping can be very significant in consideration of the transport properties of the TI materials, such as Bi2Se3 or Bi2Te3. In this theoretical work we present the study of the Josephson diode effect based on the topological insulator weak link. We address the question of the hexagonal warping influence on the Josephson diode effect. We argue that the warping term leads to the anisotropy of the Josephson diode effect.

Diamagnetic corrections to low-excited electronic states of light molecular systems

Compact astrophysical objects like white dwarfs and neutron stars generate very strong magnetic fields. In their atmosphere, accretion disks, and the interstellar medium surrounding them, the predominant matter consists of hydrogen, helium and few-particle atoms and molecules. In this work, we have studied the effects of strong magnetic fields on light atomic and molecular systems like hydrogen molecular ions and antiprotonic helium. The full energy of the investigated systems is calculated in the Born-Oppenheimer approximation for a few low-lying electronic states. We investigate the case where the leading effect comes from the quadratic magnetic field term in the interaction Hamiltonian. The electronic energies and wavefunctions are computed in spheroidal coordinates by a finite difference method on a nonequidistant grid. The diamagnetic contributions to the total energy for an arbitrary value of the magnetic field strength are also calculated in perturbation theory. Then they are compared with the exact results, and where possible - with previous calculations. The electronic energy terms could be used for precise computations of the spectral lines of the hydrogen molecular ion and antiprotonic helium. This will allow searching for objects, like neutron stars and white dwarfs with strong magnetic fields, containing such molecular systems in their atmospheres or accretion discs. When the effects from the approximations are taken into account, the tabulated results presented in this work could also find an application in studies for much weaker magnetic field strengths existing in laboratory environments.

Stochastic Perturbation of Optical Solitons for the Concatenation Model with Power-Law of Self-Phase Modulation Having Multiplicative White Noise

Addressing the concatenation model, this paper explores the incorporation of power-law self-phase modulation and spatio-temporal dispersion, in addition to the chromatic dispersion. The inclusion of the white noise effect, along with deterministic Hamiltonian perturbation terms of arbitrary intensity, is also examined. Two integration approaches are applied to recover the soliton solutions, leading to the observation that the white noise effect remains confined to the phase component of these solutions.

Generalization of the Schrödinger Equation for Open Systems Based on the Quantum-Statistical Approach

Within the framework of the quantum-statistical approach, utilizing both non-Hermitian Hamiltonian and Lindblad’s jump operators, one can derive various generalizations of the von Neumann equation for reduced density operators, also known as hybrid master equations. If one considers the evolution of pure states only, i.e., disregarding the coherence between states and spontaneous transitions from pure to mixed states, then one can resort to quantum-mechanical equations of the Schrödinger type. We derive them from the hybrid master equations and study their main properties, which indicate that our equations have a larger range of applicability compared to other generalized Schrödinger equations proposed hitherto. Among other features, they can describe not only systems which remain in the stationary eigenstates of the Hamiltonian as time passes, but also those which evolve from those eigenstates. As an example, we consider a simple but important model, a quantum harmonic oscillator driven by both Hamiltonian and non-Hamiltonian terms, and derive its classical limit, which turns out to be the damped harmonic oscillator. Using this model, we demonstrate that the effects of dissipative environments of different types can cancel each other, thus resulting in an effectively dissipation-free classical system. Another discussed phenomenon is whether a non-trivial quantum system can reduce to a classical system in free motion, i.e., without experiencing any classical Newtonian forces. This uncovers a large class of quantum-mechanical non-Hamiltonian systems whose dynamics are not determined by conventional mechanics’ potentials and forces, but rather come about through quantum statistical effects caused by the system’s environment.

Distilling coarse-grained representations of molecular electronic structure with continuously gated message passing.

Bottom-up methods for coarse-grained (CG) molecular modeling are critically needed to establish rigorous links between atomistic reference data and reduced molecular representations. For a target molecule, the ideal reduced CG representation is a function of both the conformational ensemble of the system and the target physical observable(s) to be reproduced at the CG resolution. However, there is an absence of algorithms for selecting CG representations of molecules from which complex properties, including molecular electronic structure, can be accurately modeled. We introduce continuously gated message passing (CGMP), a graph neural network (GNN) method for atomically decomposing molecular electronic structure sampled over conformational ensembles. CGMP integrates 3D-invariant GNNs and a novel gated message passing system to continuously reduce the atomic degrees of freedom accessible for electronic predictions, resulting in a one-shot importance ranking of atoms contributing to a target molecular property. Moreover, CGMP provides the first approach by which to quantify the degeneracy of "good" CG representations conditioned on specific prediction targets, facilitating the development of more transferable CG representations. We further show how CGMP can be used to highlight multiatom correlations, illuminating a path to developing CG electronic Hamiltonians in terms of interpretable collective variables for arbitrarily complex molecules.

Programmable high-dimensional Hamiltonian in a photonic waveguide array

Waveguide lattices offer a compact and stable platform for a range of applications, including quantum walks, condensed matter system simulation, and classical and quantum information processing. However, to date, waveguide lattice devices have been static and designed for specific applications. We present a programmable waveguide array in which the Hamiltonian terms can be individually electro-optically tuned to implement various Hamiltonian continuous-time evolutions on a single device. We used a single array with 11 waveguides in lithium niobate, controlled via 22 electrodes, to perform a range of experiments that realized the Su-Schriffer-Heeger model, the Aubrey-Andre model, and Anderson localization, which is equivalent to over 2500 static devices. Our architecture’s micron-scale local electric fields overcome the cross-talk limitations of thermo-optic phase shifters in other platforms such as silicon, silicon-nitride, and silica. Electro-optic control allows for ultra-fast and more precise reconfigurability with lower power consumption, and with quantum input states, our platform can enable the study of multiple condensed matter quantum dynamics with a single device.

Vacuum-field-induced state mixing

By engineering the electromagnetic vacuum field, the induced Casimir-Polder shift (also known as Lamb shift) and spontaneous emission rates of individual atomic levels can be controlled. When the strength of these effects becomes comparable to the energy difference between two previously uncoupled atomic states, an environment-induced interaction between these states appears after tracing over the environment. This interaction has been previously studied for degenerate levels and simple geometries involving infinite, perfectly conducting half-spaces or free space. Here, we generalize these studies by developing a convenient description that permits the analysis of these non-diagonal perturbations to the atomic Hamiltonian in terms of an accurate non-Hermitian Hamiltonian. Applying this theory to a hydrogen atom close to a dielectric nanoparticle, we show strong vacuum-field-induced state mixing that leads to drastic modifications in both the energies and decay rates compared to conventional diagonal perturbation theory. In particular, contrary to the expected Purcell enhancement, we find a surprising decrease of decay rates within a considerable range of atom-nanoparticle separations. Furthermore, we quantify the large degree of mixing of the unperturbed eigenstates due to the non-diagonal perturbation. Our work opens new quantum state manipulation possibilities in emitters with closely spaced energy levels.