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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Repeatability of measurements: Non-Hermitian observables and quantum Coriolis force

A noncommuting measurement transfers, via the apparatus, information encoded in a system's state to the external “observer.” Classical measurements determine properties of physical objects. In the quantum realm, the very same notion restricts the recording process to orthogonal states as only those are distinguishable by measurements. Thus, even a possibility to describe physical reality by means of non-Hermitian operators should volens nolens be excluded as their eigenstates are not orthogonal. We show that non-Hermitian operators with real spectra can be treated within the standard framework of quantum mechanics. Further, we propose a quantum canonical transformation that maps Hermitian systems onto non-Hermitian ones. Similar to classical inertial forces this map is accompanied by an energetic cost, pinning the system on the unitary path.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Photonic Crystals Based on Media with Arbitrary Anisotropy of Permittivity and Permeability

A general approach to analyzing eigenmodes in anisotropic and gyrotropic 3D photonic crystals based on dielectric and magnetic media is proposed. This approach is based on the representation of stationary macroscopic Maxwell equations in the operator form corresponding to the quantum-mechanical equation for a photon with spin s = 1. In these equations, the strengths of electric and magnetic fields are put into correspondence with state vectors in the complex Hilbert space. The permittivity and permeability serve as operators acting on these vectors. It is shown that the problem of determining the eigenmodes of a photonic crystal is reduced to searching for eigenvectors and eigenvalues of the Hermitian operator characterizing the spin–orbit interaction of a photon in the periodic anisotropic medium under study. It is proposed to use photon states with a certain wave vector (certain momentum) and a certain linear or circular spin polarization as a basis for the representation operator equations. One-dimensional photonic crystals are considered as an example. The influence of anisotropy and gyrotropy on the dispersion of eigenmodes in these crystals is investigated. The group velocity of the eigenmodes, momentum transferred by them, and spin angular momentum are analyzed for the case of gyrotropic media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Flat minimal quantizations of Stäckel systems and quantum separability

In this paper, we consider the problem of quantization of classical Stäckel systems and the problem of separability of related quantum Hamiltonians. First, using the concept of Stäckel transform, natural Hamiltonian systems from a given Riemann space are expressed by some flat coordinates of related Euclidean configuration space. Then, the so-called flat minimal quantization procedure is applied in order to construct an appropriate Hermitian operator in the respective Hilbert space. Finally, we distinguish a class of Stäckel systems which remains separable after any of admissible flat minimal quantizations. - Highlights: • Using Stäckel transform, separable Hamiltonians are expressed by flat coordinates. • The concept of admissible flat minimal quantizations is developed. • The class of Stäckel systems, separable after minimal flat quantization is established. • Separability of related stationary Schrödinger equations is presented in explicit form.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Inequalities for quantum marginal problems with continuous variables

We consider a mixed continuous-variable bosonic quantum system and present inequalities which must be satisfied between principal values of the covariances of a complete set of observables of the whole system and the principal values of the covariances of a complete set of observables of a subsystem. We use several classical results for the proof: the Courant-Fischer-Weyl min-max theorem for Hermitian operators and its consequence, the Cauchy interlacing theorem, and prove their analogues in the symplectic setting. For the case of passive transformations of Gaussian mixed states we also prove that the obtained inequalities are, in a sense, the best possible. The obtained mathematical results are applied to the system of n uncorrelated thermal modes of the electromagnetic field. Finally, we present the results of numerical simulations of the problem, suggesting avenues of further research.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Universal model of Floquet operator Krylov space

It is shown that the stroboscopic time evolution under a Floquet unitary, in any spatial dimension, and of any Hermitian operator, can be mapped to an operator Krylov space, which is identical to that generated by the edge operator of the noninteracting Floquet transverse-field Ising model (TFIM) in one-spatial dimension, and with inhomogeneous Ising and transverse field couplings. The latter has four topological phases reflected by the absence (topologically trivial) or presence (topologically nontrivial) of edge modes at 0 and/or π quasienergies. It is shown that the Floquet dynamics share certain universal features characterized by how the Krylov parameters vary in the topological phase diagram of the Floquet TFIM with homogeneous couplings. Furthermore, these results are highlighted through examples, all chosen for numerical convenience to be in one spatial dimension: nonintegrable Floquet spin 1/2 chains and Floquet Z 3 clock model where the latter hosts period-tripled edge modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Exotic fermions in Kadyshevsky’s theory and the possibility to detect them

As it is known, the principal research interest of V.G. Kadyshevsky was the development of a geometric approach to quantum field theory with a constraint imposed on the mass spectrum of elementary particles. Non-Hermitian operators arising in this case seemed to be a major obstacle to the development of a consistent theory. These issues have been resolved recently, and the introduction of the pseudo-Hermitian algebraic approach to the construction of quantum theory was a major advance in this physical research. The central point of such theories is the construction of PT -symmetric non-Hermitian Hamiltonians with real eigenvalues. It is important to note that both purely theoretical and experimental studies (e.g., in non-Hermitian optics) are found among the many published papers on this subject. Therefore, we believe that the development of pseudo-Hermitian relativistic quantum theory with a maximal mass may provide favorable opportunities to discuss the possible experimental verification of theoretical results obtained in this field. Kadyshevsky himself regarded the hypothesis of existence of new particles, which he called exotic fermions, as an important prediction of his theory. The possibility of discovery of exotic neutrinos in precision experiments on the determination of the neutrino mass is discussed in the present study.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Dyson maps and unitary evolution for Maxwell equations in tensor dielectric media

The propagation and scattering of electromagnetic waves in dielectric media is of theoretical and experimental interest in a wide variety of fields. An understanding of observational results generally requires a numerical solution of Maxwell equations—usually implemented on conventional computers using sophisticated numerical algorithms. In recent years, advances in quantum information science and in the development of quantum computers have piqued curiosity about taking advantage of these resources for an alternate numerical approach to Maxwell equations. This requires a reformulation of the classical Maxwell equations into a form suitable for quantum computers which, unlike conventional computers, are limited to unitary operations. In this paper, a unitary framework is developed for the propagation of electromagnetic waves in a spatially inhomogeneous, passive, nondispersive, and anisotropic dielectric medium. For such a medium, generally, the evolution operator in the combined Faraday-Ampere equations is not unitary. There are two steps needed to convert this equation into a unitary evolution equation. In the first step, a weighted Hilbert space is formulated in which the generator of dynamics is a pseudo-Hermitian operator. In the second step, a Dyson map is constructed which maps the weighted-physical-Hilbert space to the original Hilbert space. Furthermore, the resulting evolution equation for the electromagnetic wave fields is unitary. Utilizing the framework developed in these steps, a unitary evolution equation is derived for electromagnetic wave propagation in a uniaxial dielectric medium. The resulting form is suitable for quantum computing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Variational approach to quantum state tomography based on maximal entropy formalism

Quantum state tomography is an integral part of quantum computation and offers the starting point for the validation of various quantum devices. One of the central tasks in the field of state tomography is to reconstruct, with high fidelity, the quantum states of a quantum system. From an experiment on a real quantum device, one can obtain the mean measurement values of different operators. With such data as input, in this report we employ the maximal entropy formalism to construct the least biased mixed quantum state that is consistent with the given set of expectation values. Even though, in principle, the reported formalism is quite general and should work for an arbitrary set of observables, in practice we shall demonstrate the efficacy of the algorithm on an informationally complete (IC) set of Hermitian operators. Such a set possesses the advantage of uniquely specifying a single quantum state from which the experimental measurements have been sampled and hence renders the rare opportunity not only to construct a least-biased quantum state but even replicate the exact state prepared experimentally within a preset tolerance. Here, the primary workhorse of the algorithm is reconstructing an energy function which we designate as the effective Hamiltonian of the system, and parameterizing it with Lagrange multipliers, according to the formalism of maximal entropy. These parameters are thereafter optimized variationally so that the reconstructed quantum state of the system converges to the true quantum state within an error threshold. To this end, we employ a parameterized quantum circuit and a hybrid quantum-classical variational algorithm to obtain such a target state, making our recipe easily implementable on a near-term quantum device.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Position Operators in Terms of Converging Finite-Dimensional Matrices and Their Intertwining with Geometry, Transport, and Gauge

The position operator 𝑟̂ appears as 𝑖∂ 𝑝 in wave mechanics, while its matrix form (e.g., under a Bloch basis) is well known diverging in diagonals, causing difficulties in basis transformation, observable yielding, etc. We aim to find a convergent r-matrix (CRM) to improve the existing divergent r-matrix (DRM), and investigate its influence at both the conceptual and the application levels. A key modification is increasing the familiar substitution of 𝑟̂ by 𝑖∂ 𝑝 to 𝑖∑ 𝑗 ∂ 𝑘 𝑗 , namely the N-th Weyl algebra. Resolving the divergence makes r-matrix rigorously defined, and we are able to show r-matrix is distinct from a spin matrix in terms of its defining principles, transformation behavior, and the observable it yields. Conceptually, the CRM fills the logical gap between the r-matrix and the Berry connection (this unremarked vagueness has caused the diagonal divergence). In application, we focus on transport, and discover that the Hermitian matrix is not identical with the associative Hermitian operator, i.e., 𝑟 𝑚,𝑛 = 𝑟$^∗_{𝑛,𝑚}$ ⇎ 𝑟̂ = 𝑟̂ † , which subtly affects the celebrated Berry curvature formula for adiabatic current. We also discuss how such a non-representation CRM can contribute to building a unified transport theory.

Weyl algebras↗
DOE OSTI2018

Low-energy effective field theory below the electroweak scale: anomalous dimensions

We compute the one-loop anomalous dimensions of the low-energy effective Lagrangian below the electroweak scale, up to terms of dimension six. The theory has 70 dimension-five and 3631 dimension-six Hermitian operators that preserve baryon and lepton number, as well as additional operators that violate baryon number and lepton number. The renormalization group equations for the quark and lepton masses and the QCD and QED gauge couplings are modified by dimension-five and dimension-six operator contributions. We compute the renormalization group equations from one insertion of dimension-five and dimension-six operators, as well as two insertions of dimension-five operators, to all terms of dimension less than or equal to six. As a result, the use of the equations of motion to eliminate operators can be ambiguous, and we show how to resolve this ambiguity by a careful use of field redefinitions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer

Herein we propose a quantum-classical hybrid variational algorithm, the quantum orbital minimization method (qOMM), for obtaining the ground state and low-lying excited states of a Hermitian operator. Given parametrized ansatz circuits representing eigenstates, qOMM implements quantum circuits to represent the objective function in the orbital minimization method and adopts a classical optimizer to minimize the objective function with respect to the parameters in ansatz circuits. The objective function has an orthogonality constraint implicitly embedded, which allows qOMM to apply a different ansatz circuit to each input reference state. We carry out numerical simulations that seek to find excited states of H 2 , LiH, and a toy model consisting of four hydrogen atoms arranged in a square lattice in the STO-3G basis with UCCSD ansatz circuits. Comparing the numerical results with existing excited states methods, qOMM is less prone to getting stuck in local minima and can achieve convergence with more shallow ansatz circuits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Short-depth circuits for efficient expectation-value estimation

The evaluation of expectation values Tr[$\rho \mathcal{O}$] for some pure state $\rho$ and Hermitian operator $\mathcal{O}$ is of central importance in a variety of quantum algorithms. Near-optimal techniques have been developed in the past and require a number of measurements N approaching the Heisenberg limit N = O(1/ ε) as a function of target accuracy ε. The use of quantum phase estimation (QPE) requires, however, long circuit depths C = O(1/ ε) making its implementation difficult on near-term noisy devices. The more direct strategy of operator averaging is usually preferred as it can be performed using N = O(1/ε 2 ) measurements and no additional gates aside from those needed for the state preparation. In this work we use a simple but realistic model to describe the bound state of a neutron and a proton (the deuteron) to show that the latter strategy can require an overly large number of measurements in order to achieve a prefixed relative target accuracy ε r . Further, we propose to overcome this problem using a single step of QPE and classical postprocessing. This approach leads to a circuit depth C = O (ε μ ) (with μ ≥ 0) and to a number of measurements N = O (1/ε 2 + ν ) for 0 < ν ≤ 1 and a much smaller prefactor. We provide detailed descriptions of two implementations of our strategy for ν = 1 and ν ≈ 0.5 and derive appropriate conditions that a particular problem instance has to satisfy in order for our method to provide an advantage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Entropic Energy-Time Uncertainty Relation

We report that energy-time uncertainty plays an important role in quantum foundations and technologies, and it was even discussed by the founders of quantum mechanics. However, standard approaches (e.g., Robertson’s uncertainty relation) do not apply to energy-time uncertainty because, in general, there is no Hermitian operator associated with time. Following previous approaches, we quantify time uncertainty by how well one can read off the time from a quantum clock. We then use entropy to quantify the information-theoretic distinguishability of the various time states of the clock. Our main result is an entropic energy-time uncertainty relation for general time-independent Hamiltonians, stated for both the discrete-time and continuous-time cases. Additionally, our uncertainty relation is strong, in the sense that it allows for a quantum memory to help reduce the uncertainty, and this formulation leads us to reinterpret it as a bound on the relative entropy of asymmetry. Because of the operational relevance of entropy, we anticipate that our uncertainty relation will have information-processing applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A retrospective review of von Neumann’s analysis of hidden variables in quantum mechanics

This article reviews the history of J. von Neumann’s analysis of hidden variables in quantum mechanics and the subsequent analysis by others. In his book The Mathematical Foundations of Quantum Mechanics , published in 1932, von Neumann performed an analysis of the consequences of introducing hidden parameters (hidden variables) into quantum mechanics. He arrived at two principal conclusions: first, hidden variables cannot be incorporated into the existing theory of quantum mechanics without major modifications, and second, if they did exist, the theory would have already failed in situations where it has been successfully applied. This analysis has been taken as an “incorrect proof” against the existence of hidden variables, possibly due to a mistranslation of the German word prufen . von Neumann’s so-called proof isn’t even wrong as such a proof does not exist, but it is an examination of the limitations imposed by internal consistency of the Hilbert space formulation of the theory. One of the earliest attempts to eliminate uncertainty, by D. Bohm, requires a major modification of quantum mechanics (observables are not represented by Hermitian operators), which supports von Neumann’s first principal conclusion. However, testing the Bohm theory requires constructing a physically impossible initial state. As such, the theory has no experimental consequences, so W. Pauli referred to it as an “uncashable check”. As there are no observable consequences, the Bohm theory is possibly a counterexample to von Neumann’s second conclusion that hidden variables in particular would have already led to a failure of the theory.

density matrix↗
NASA NTRS1974

Useful extremum principle for the variational calculation of matrix elements

Variational principles are considered for the approximate evaluation of the diagonal matrix elements of an arbitrary known linear Hermitian operator. A method is derived that is immediately applicable to the variational determination of both the off-diagonal and diagonal matrix elements of normal and modified Green's functions.

Gerjuoy, E.↗
NASA NTRS1975

Useful extremum principle for the variational calculation of matrix elements. II

Recent work (Gerjuoy et al., 1974) on variational principles for diagonal bound state matrix elements of arbitrary Hermitian operators is extended. In particular, it is shown that the previously derived minimum principle for the trial auxiliary function appearing in such variational principles can be constructed using a modified Hamiltonian possessing not heretofore recognized positive definite properties. Thus there is at least one alternative to the particular modified Hamiltonian on which the results of Gerjuoy et al. (1974) originally were based.

Gerjuoy, E.↗