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At least 91 records · Page 5

Exploring strongly correlated quantum spin systems with quantum computers

At inception, quantum annealing leveraged quantum mechanics for classical optimization tasks. However, as machine coherence increases, the realization of quantum spin systems has emerged as an even more fruitful application of this computational model. Alternatives to the standard gate model deserve exploration, to achieve useful quantum advantage via analog quantum computing. The recent demonstration of so-called coherent quantum annealing with 1,000s of qubits, further expands the potential for this hardware to explore quantum system dynamics where the effects of quantum fluctuations can be carefully controlled and observed directly. Implementing existing celebrated spin models—or in fact new and dedicated ones—into quantum annealers will lead to observation and detection of quantum phenomena not yet observed, or not visualized directly, in experimental physics laboratories. Rather than computing or simulating quantum systems, these quantum computers allow one to simply build quantum systems, and experiment on them in an uniquely controlled way, with characterization down to the constitutive degree of freedom. This provides an unprecedented opportunity for understanding the physics of quantum spin systems. Keywords: Theoretical physics currently abounds of interesting theoretical spin models to explore frustration, strongly correlated spins, spin liquids, fractionalized excitations, and topological matter. However enticing, such models are generally only weak proxies for the properties of actual materials. In quantum annealers these models could be realized and experimented upon. Moreover, many more realistic models of such materials could be realized in quantum annealers. Employed in this way, quantum annealers provide an extraordinary versatile platform to explore quantum effects that are hard to find, detect, and characterize in natural materials.

36 MATERIALS SCIENCE↗

Geometric phases and quantum correlations dynamics in spin-boson model

We explore the dynamics of spin-boson model for the Ohmic bath by employing the master equation approach and obtain an explicit expression of reduced density matrix. We also calculate the geometric phases of the spin-boson model by making use of the analytical results and discuss how the dissipative bosonic environment affects geometric phases. Furthermore, we investigate the dynamics of quantum discord and entanglement of two qubits each locally interacting with its own independent bosonic environments. It is found that the decay properties of quantum discord and entanglement are sensitive to the choice of initial state's parameter and coupling strength between system and bath.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems

We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. While wave function approaches to Hartree-Fock theory yield an upper bound to the Hartree-Fock energy, we derive a semidefinite relaxation of Hartree-Fock theory that yields a rigorous lower bound on the Hartree-Fock energy. We also develop an upper-bound algorithm in which Hartree-Fock theory is cast as a SDP with a nonconvex constraint on the rank of the matrix variable. Equality of the upper- and lower-bound energies guarantees that the computed solution is the globally optimal solution of Hartree-Fock theory. The work extends a previously presented method for closed-shell systems [S. Veeraraghavan and D. A. Mazziotti, Phys. Rev. A 89, 010502–R (2014)]. For strongly correlated systems the SDP approach provides an alternative to the locally optimized Hartree-Fock energies and densities with a certificate of global optimality. Applications are made to the potential energy curves of C{sub 2}, CN, Cr {sub 2}, and NO {sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum correlations in the two-photon decay of few-electron ions

A theoretical study of the polarization entanglement of two photons emitted in the decay of metastable ionic states is performed within the framework of density-matrix theory and second-order perturbative approach. Particular attention is paid to relativistic and nondipole effects that become important for medium- and high-Z ions. To analyze these effects, the degree of entanglement is evaluated both in the dipole approximation and within rigorous relativistic theory. Detailed calculations are performed for the two-photon 2s{sub 1/2}{yields}1s{sub 1/2} transition in hydrogenlike ions as well as for the 1s{sub 1/2} 2s{sub 1/2} {sup 1}S{sub 0}{yields}1s{sub 1/2}{sup 2} {sup 1}S{sub 0}, 1s{sub 1/2} 2s{sub 1/2} {sup 3}S{sub 1{yields}}1s{sub 1/2}{sup 2} {sup 1}S{sub 0}, and 1s{sub 1/2} 2p{sub 1/2} {sup 3}P{sub 0}{yields}1s{sub 1/2}{sup 2} {sup 1}S{sub 0} transitions in heliumlike ions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU(N) magnetism in chains of ultracold alkaline-earth-metal atoms: Mott transitions and quantum correlations

We investigate one-dimensional SU(N) Hubbard chains at zero temperature, which can be emulated with ultracold alkaline-earth-metal atoms, by using the density matrix renormalization group (DMRG), Bethe ansatz (BA), and bosonization. We compute experimental observables and use the DMRG to benchmark the accuracy of the Bethe ansatz for N>2 where the BA is only approximate. In the worst case, we find a relative error {epsilon} < or approx. 4% in the BA ground-state energy for N{<=}4 at filling 1/N, which is due to the fact that BA improperly treats the triply and higher occupied states. Using the DMRG for N{<=}4 and the BA for large N, we determine the regimes of validity of strong- and weak-coupling perturbation theory for all values of N and, in particular, the parameter range in which the system is well described by a SU(N) Heisenberg model at filling 1/N. We find this depends only weakly on N. We investigate the Berezinskii-Kosterlitz-Thouless phase transition from a Luttinger liquid to a Mott insulator by computing the fidelity susceptibility and the Luttinger parameter K{sub {rho}} at 1/N filling. The numerical findings give strong evidence that the fidelity susceptibility develops a minimum at a critical interaction strength which is found to occur at a finite positive value for N>2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Relaxation dynamics in correlated quantum dots

We study quantum many-body effects on the real-time evolution of the current through quantum dots. By using a non-equilibrium renormalization group approach, we provide analytic results for the relaxation dynamics into the stationary state and identify the microscopic cutoff scales that determine the transport rates. We find rich non-equilibrium physics induced by the interplay of the different energy scales. While the short-time limit is governed by universal dynamics, the long-time behavior features characteristic oscillations as well as an interplay of exponential and power-law decay.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Enhancement of molecular sensitivity in positron emission tomography with quantum correlation of γ-ray photons

Enhancement of molecular sensitivity in positron emission tomography (PET) has long been discussed with respect to imaging instrumentation and algorithms for data treatment. Here, the molecular sensitivity in PET is discussed on the basis of 2-dimensional coincident measurements of 511 keV γ ray photons resultant from two-photon annihilation. Introduction of an additional selection window based on the energy sum and difference of the coincidently measured γ ray photons, without any significant instrumental and algorithmic changes, showed an improvement in the signal-to-noise ratio (SNR) by an order of magnitude. Improvement of performance characteristics in the PET imaging system was demonstrated by an increase in the noise equivalent count rate (NECR) which takes both the SNR and the detection efficiency into consideration. A further improvement of both the SNR and the NECR is expected for the present system in real clinical and in-vivo environments, where much stronger positron sources are employed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characterization and Optimization of the Fitting of Quantum Correlation Functions

This case study presents a characterization and optimization of an application code for extracting parton distribution functions from high energy electron-proton scattering data. Profiling this application code reveals that the phase-space density computation accounts for 93% of the overall execution time for a single iteration on a single core. When executing multiple iterations in parallel on a multicore system, the application spends 78% of its overall execution time idling due to load imbalance. We address these issues by first transforming the application code from Python to C++ and then tackling the application load imbalance via a hybrid scheduling strategy that combines dynamic and static scheduling. These techniques result in a 62% reduction in CPU idle time and a 2.46x speedup in overall execution time per node. In addition, the typically enabled power-management mechanisms in supercomputers (e.g., AMD Turbo Core, Intel Turbo Boost, and RAPL) can significantly impact intra-node scalability when more than 50% of the CPU cores are used. This finding underscores the importance of understanding system interactions with power management, as they can adversely impact application performance, and highlights the necessity of intra-node scaling tests to identify performance degradation that inter-node scaling tests might otherwise overlook.

Chuang, Pi-Yueh [Virginia Tech,Dept. of Computer S↗