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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Quantum chemistry and excited states: First investigations on pyrene-like molecules

Although the calculations are expected to be accurate within 10%, it follows then that there cannot be proposed unquestionable one-to-one attribution due to the density of the DIB's (Diffuse Interstellar Bands). Nevertheless, it has been shown that if one is interested in the experimental study of methyl-pyrene cations, for example, then, the most promising candidate is the 1-methyl isomer: this isomer has been investigated by d'Hendecourt and Leger (1993,1994) and their spectrum shows very striking features in very good agreement with both our calculations and a few DIB's. However, 1-methyl-pyrene cation is not the only product susceptible of being formed in this experiment, and further investigations are in progress to give a complete interpretations of the results. This preliminary report on pyrene-like molecules illustrates the role that theoretical calculations can ply in both the design and the interpretation of experiments.

Parisel, Olivier↗
DOE OSTI2022

Single quantum emitters with spin ground states based on Cl bound excitons in ZnSe

Defects in wide-band-gap semiconductors are promising qubit candidates for quantum communication and computation. Epitaxially grown II-VI semiconductors are particularly promising host materials due to their direct band gap and potential for isotopic purification to a spin-zero nuclear background. Here, we show an alternative type of single photon emitter with potential electron spin qubits based on Cl impurities in ZnSe. We utilize a quantum well to increase the binding energies of donor emission and confirm single photon emission with short radiative lifetimes of 192 ps. Furthermore, we verify that the ground state of the Cl donor complex contains a single electron by observing two-electron-satellite emission, leaving the electron in higher orbital states. We also characterize the Zeeman splitting of the exciton transition by performing polarization-resolved magnetic spectroscopy on single emitters. Our results suggest single Cl impurities are suitable as a single photon source with a potential photonic interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Employing Interacting Qubits for Distributed Microgrid Control

To empower flexible and scalable operations, distributed control of multi-inverter microgrids, based on classical communication networks among distributed energy resources, has attracted considerable attention as it can guarantee synchronization and provide suitable remedies to the problem of improper power sharing. Notwithstanding this, resilience of the current schemes on classical communication makes microgrids vulnerable to cyber attacks. Inspired by recent revolutionary breakthroughs in quantum communication, in this paper, we devise a novel synchronization mechanism. We extend the synchronization framework utilized in distributed control algorithms to networks of quantum systems by generating pinning terms and coupling mechanism for the new synchronization rule via exploiting proper quantum jump operators and observables, and show that the quantum system will converge to a time-variant target state. Our devised quantum distributed controller (QDC) gives rise to a novel quantum communication scheme for distributed control of microgrids and enables microgrids to exploit the state-of-the-art quantum communication frameworks as communication infrastructure. Finally, test results on two representative AC and DC networked microgrids validate the efficacy and universality of the quantum distributed control.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Quantum Theory of the Classical: Einselection, Envariance, Quantum Darwinism and Extantons

Core quantum postulates including the superposition principle and the unitarity of evolutions are natural and strikingly simple. I show that—when supplemented with a limited version of predictability (captured in the textbook accounts by the repeatability postulate)—these core postulates can account for all the symptoms of classicality. In particular, both objective classical reality and elusive information about reality arise, via quantum Darwinism, from the quantum substrate. This approach shares with the Relative State Interpretation of Everett the view that collapse of the wavepacket reflects perception of the state of the rest of the Universe relative to the state of observer’s records. However, our “let quantum be quantum” approach poses questions absent in Bohr’s Copenhagen Interpretation that relied on the preexisting classical domain. Thus, one is now forced to seek preferred, predictable, hence effectively classical but ultimately quantum states that allow observers keep reliable records. Without such (i) preferred basis relative states are simply “too relative”, and the ensuing basis ambiguity makes it difficult to identify events (e.g., measurement outcomes). Moreover, universal validity of quantum theory raises the issue of (ii) the origin of Born’s rule, p k =|ψ k | 2 , relating probabilities and amplitudes (that is simply postulated in textbooks). Last not least, even preferred pointer states (defined by einselection—environment—induced superselection)—are still quantum. Therefore, unlike classical states that exist objectively, quantum states of an individual system cannot be found out by an initially ignorant observer through direct measurement without being disrupted. So, to complete the ‘quantum theory of the classical’ one must identify (iii) quantum origin of objective existence and explain how the information about objectively existing states can appear to be essentially inconsequential for them (as it does for states in Newtonian physics) and yet matter in other settings (e.g., thermodynamics). I show how the mathematical structure of quantum theory supplemented by the only uncontroversial measurement postulate (that demands immediate repeatability—hence, predictability) leads to preferred states. These (i) pointer states correspond to measurement outcomes. Their stability is a prerequisite for objective existence of effectively classical states and for events such as quantum jumps. Events at hand, one can now enquire about their probability—the probability of a pointer state (or of a measurement record). I show that the symmetry of entangled states—(ii) entanglement—assisted invariance or envariance—implies Born’s rule. Envariance also accounts for the loss of phase coherence between pointer states. Thus, decoherence can be traced to symmetries of entanglement and understood without its usual tool—reduced density matrices. A simple and manifestly noncircular derivation of p k =|ψ k | 2 follows. Monitoring of the system by its environment in course of decoherence typically leaves behind multiple copies of its pointer states in the environment. Only pointer states can survive decoherence and can spawn such plentiful information-theoretic progeny. This (iii) quantum Darwinism allows observers to use environment as a witness—to find out pointer states indirectly, leaving systems of interest untouched. Quantum Darwinism shows how epistemic and ontic (coexisting in epiontic quantum state) separate into robust objective existence of pointer states and detached information about them, giving rise to extantons—composite objects with system of interest in the core and multiple records of its pointer states in the halo comprising of environment subsystems (e.g., photons) which disseminates that information throughout the Universe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Simulating large one-dimensional neutral-atom quantum systems

While abstract models of quantum computation assume a closed system of two-level states, practical quantum devices inevitably couple to the environment in some way, creating sources of noise. Understanding the tolerance to noise of specific quantum algorithms run on specific devices is important for determining the feasibility of quantum computing in the current noisy intermediate-scale quantum era. Of particular interest is understanding the noise sensitivity of these devices as more qubits are added to the system. Classical simulations are a useful tool to understand the effects of this noise, but direct classical simulations of open quantum systems are burdened by an exponentially growing cost in the number of qubits and a large local Hilbert space dimension. For onedimensional, shallow circuits, using tensor networks can replace this exponential cost with a linear one and simulate far wider systems than what would normally be available. In this paper, we describe a tensor network simulation of a neutral atom quantum system under the presence of noise, while introducing a purity-preserving truncation technique that compromises between the simplicity of the matrix product state and the positivity of the matrix product density operator. We apply this simulation to a near-optimized iteration of the quantum approximate optimization algorithm on a transverse field Ising model in order to investigate the influence of large system sizes on the performance of the algorithm. We find that while circuits with a large number of qubits fail more often under noise that depletes the qubit population, their outputs on a successful measurement are just as robust under Rydberg atom dissipation or qubit dephasing as smaller systems. However, such circuits might not perform as well under coherent multiqubit errors such as Rydberg atom crosstalk. We also find that the optimized parameters are especially robust to noise, suggesting that a noisier quantum system can be used to find the optimal parameters before switching to a cleaner system for measurements of observables.

Allen, James↗
DOE OSTI2020

Nonequilibrium renormalization group fixed points of the quantum clock chain and the quantum Potts chain

In this work, we derive an exact renormalization group recursion relation for the Loschmidt amplitude of the quantum Q-state clock model and the quantum Q-state Potts model in one dimension. The renormalization group flow is discussed in detail. The fixed points of the renormalization group flow are found to be complex in general. These fixed points control the dynamical phases of the two models, giving rise to nonanalyticities in its Loschmidt rate function, for both the pure and the disordered system. For the quench protocols studied, dynamical quantum phase transitions are found to occur in the clock model for all Qs considered, while in the Potts model, they only occur when Q < 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗