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Results for “Consistent Quantum Theory”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Discrepancy between experimental and theoretical β-decay rates resolved from first principles

The dominant decay mode of atomic nuclei is beta decay (β-decay), a process that changes a neutron into a proton (and vice versa). This decay offers a window to physics beyond the standard model, and is at the heart of microphysical processes in stellar explosions and element synthesis in the Universe1,2,3. However, observed β-decay rates in nuclei have been found to be systematically smaller than for free neutrons: this 50-year-old puzzle about the apparent quenching of the fundamental coupling constant by a factor of about 0.75 (ref. 4) is without a first-principles theoretical explanation. Here, we demonstrate that this quenching arises to a large extent from the coupling of the weak force to two nucleons as well as from strong correlations in the nucleus. We present state-of-the-art computations of β-decays from light- and medium-mass nuclei to 100Sn by combining effective field theories of the strong and weak forces5 with powerful quantum many-body techniques6,7,8. Our results are consistent with experimental data and have implications for heavy element synthesis in neutron star mergers9,10,11 and predictions for the neutrino-less double-β-decay3, where an analogous quenching puzzle is a source of uncertainty in extracting the neutrino mass scale12.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

In-in and δN calculations of the bispectrum from non-attractor single-field inflation

In non-attractor single-field inflation models producing a scale-invariant power spectrum, the curvature perturbation on super-horizon scales grows as R∝a{sup 3}. This is so far the only known class of self-consistent single-field models with a Bunch-Davies initial state that can produce a large squeezed-limit bispectrum violating Maldacena's consistency relation. Given the importance of this result, we calculate the bispectrum with three different methods: using quantum field theory calculations in two different gauges, and classical calculations (the δN formalism). All the results agree, giving the local-form bispectrum parameter of f{sup local}{sub NL} = 5(1+c{sub s}{sup 2})/(4c{sub s}{sup 2}). This result is valid for arbitrary values of the speed of sound parameter, c{sub s}, for a particular non-attractor model we consider in this paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Turnpike solutions of control problems in quantum systems

The model of a quantum system of interacting spins based on the Shrödinger equation with unbounded linear control is transformed to an equivalent derived system (known from the degenerate problems theory). It consists of a regular differential system with new control and description of impulse control modes. This reveals the general turnpike structure of control processes and allows to propose some effective algorithms of their investigation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

QCD Theory Meets Information Theory

We present a novel technique to incorporate precision calculations from quantum chromodynamics into fully differential particle-level Monte Carlo simulations. By minimizing an information-theoretic quantity subject to constraints, our reweighted Monte Carlo incorporates systematic uncertainties absent in individual Monte Carlo predictions, achieving consistency with the theory input in precision and its estimated systematic uncertainties. Our method can be applied to arbitrary observables known from precision calculations, including multiple observables simultaneously. It generates strictly positive weights, thus offering a clear path to statistically powerful and theoretically precise computations for current and future collider experiments. As a proof of concept, we apply our technique to event-shape observables at electron-positron colliders, leveraging existing precision calculations of thrust. Our analysis highlights the importance of logarithmic moments of event shapes, which have not been previously studied in the collider physics literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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↗
DOE OSTI2023

Assessing the source of error in the Thomas–Fermi–von Weizsäcker density functional

We investigate the source of error in the Thomas–Fermi–von Weizsäcker (TFW) density functional relative to Kohn–Sham density functional theory (DFT). In particular, through numerical studies on a range of materials, for a variety of crystal structures subject to strain and atomic displacements, we find that while the ground state electron density in TFW orbital-free DFT is close to the Kohn–Sham density, the corresponding energy deviates significantly from the Kohn–Sham value. Here, we show that these differences are a consequence of the poor representation of the linear response within the TFW approximation for the electronic kinetic energy, confirming conjectures in the literature. In so doing, we find that the energy computed from a non-self-consistent Kohn–Sham calculation using the TFW electronic ground state density is in very good agreement with that obtained from the fully self-consistent Kohn–Sham solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Large U(1) charges in F-theory

We show that massless fields with large abelian charges (up to at least q = 21) can be constructed in 6D F-theory models with a U(1) gauge group. To show this, we explicitly construct F-theory Weierstrass models with nonabelian gauge groups that can be broken to U(1) theories with a variety of large charges. Determining the maximum abelian charge allowed in such a theory is key to eliminating what seems currently to be an infinite swampland of apparently consistent U(1) supergravity theories with large charges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma

Understanding many processes, e.g., fusion experiments, planetary interiors, and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter and hot dense plasma. This complex state of matter consists of a transient mixture of degenerate and nearly free electrons, molecules, and ions. This regime challenges both experiment and analytical modeling, necessitating predictive ab initio atomistic computation, typically based on quantum mechanical Kohn-Sham density functional theory (KS-DFT). However, cubic computational scaling with temperature and system size prohibits the use of DFT through much of the warm dense matter regime. A recently developed stochastic approach to KS-DFT can be used at high temperatures, with the exact same accuracy as the deterministic approach, but the stochastic error can converge slowly and it remains expensive for intermediate temperatures (< 50 eV). Here we have developed a universal mixed stochastic-deterministic algorithm for DFT at any temperature. This approach leverages the physics of KS-DFT to seamlessly integrate the best aspects of these different approaches. We demonstrate that this method significantly accelerated self-consistent field calculations for temperatures from 3 to 50 eV, while producing stable molecular dynamics and accurate diffusion coefficients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Consistency relations and conservation of ζ in holographic inflation

It is well known that, in single clock inflation, the curvature perturbation ζ is constant in time on superhorizon scales. In the standard bulk description this follows quite simply from the local conservation of the energy momentum tensor in the bulk. On the other hand, in a holographic description, the constancy of the curvature perturbation must be related to the properties of the RG flow in the boundary theory. Here, we show that, in single clock holographic inflation, the time independence of correlators of ζ follows from the absence of the anomolous dimension of the energy momentum tensor in the boundary theory, and from the so-called consistency relations for vertex functions with a soft leg.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Background independent quantum field theory and gravitating vacuum fluctuations

The scale dependent effective average action for quantum gravity complies with the fundamental principle of Background Independence. Ultimately the background metric it formally depends on is selected self-consistently by means of a tadpole condition, a generalization of Einstein’s equation. Self-consistent background spacetimes are scale dependent, and therefore “going on-shell” at the points along a given renormalization group (RG) trajectory requires understanding two types of scale dependencies: the (familiar) direct one carried by the off-shell action functional, and an equally important indirect one related to the continual re-adjustment of the background geometry. This paper is devoted to a careful delineation and analysis of certain general questions concerning the indirect scale dependence, as well as a detailed explicit investigation of the case where the self-consistent metrics are determined predominantly by the RG running of the cosmological constant. Mathematically, the object of interest is the spectral flow induced by the background Laplacian which, on-shell, acquires an explicit scale dependence. Among other things, it encodes the complete information about the specific set of field modes which, at any given scale, are the degrees of freedom constituting the respective effective field theory. For a large class of RG trajectories (Type IIIa) we discover a seemingly paradoxical behavior that differs substantially from the off-shell based expectations: A Background Independent theory of (matter coupled) quantum gravity looses rather than gains degrees of freedom at increasing energies. As an application, we investigate to what extent it is possible to reformulate the exact theory in terms of matter and gravity fluctuations on a rigid flat space. It turns out that, in vacuo, this “rigid picture” breaks down after a very short RG time already (less than one decade of scales) because of a “scale horizon” that forms. Furthermore, we critically reanalyze and refute the frequent claim that the huge energy densities one obtains in standard quantum field theory by summing up to zero-point energies imply a naturalness problem for the observed small value of the cosmological constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

High-throughput exploration of thermoelectric and mechanical properties of amorphous NbO{sub 2} with transition metal additions

To increase the thermoelectric efficiency and reduce the thermal fatigue upon cyclic heat loading, alloying of amorphous NbO{sub 2} with all 3d and 5d transition metals has systematically been investigated using density functional theory. It was found that Ta fulfills the key design criteria, namely, enhancement of the Seebeck coefficient and positive Cauchy pressure (ductility gauge). These quantum mechanical predictions were validated by assessing the thermoelectric and elastic properties on combinatorial thin films, which is a high-throughput approach. The maximum power factor is 2813 μW m{sup −1} K{sup −2} for the Ta/Nb ratio of 0.25, which is a hundredfold increment compared to pure NbO{sub 2} and exceeds many oxide thermoelectrics. Based on the elasticity measurements, the consistency between theory and experiment for the Cauchy pressure was attained within 2%. On the basis of the electronic structure analysis, these configurations can be perceived as metallic, which is consistent with low electrical resistivity and ductile behavior. Furthermore, a pronounced quantum confinement effect occurs, which is identified as the physical origin for the Seebeck coefficient enhancement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Quantum stochastic thermodynamic on harmonic networks

Abstract Fluctuation theorems are symmetry relations for the probability to observe an amount of entropy production in a finite-time process. In a recent paper Pigeon et al (2016 New. J. Phys. 18 013009 ) derived fluctuation theorems for harmonic networks by means of the large deviation theory. Their novel approach is illustrated with various examples of experimentally relevant systems. As a main result, however, Pigeon et al provide new insight how to consistently formulate quantum stochastic thermodynamics, and provide new and robust tools for the study of the thermodynamics of quantum harmonic networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics

We report a spin-free formulation of the multireference (MR) driven similarity renormalization group (DSRG) based on the ensemble normal ordering of Mukherjee and Kutzelnigg (1997). This ensemble averages over all microstates of a given total spin quantum number, and therefore, it is invariant with respect to SU(2) transformations. As such, all equations may be reformulated in terms of spin-free quantities and they closely resemble those of spin-adapted closed-shell coupled cluster (CC) theory. The current implementation is used to assess the accuracy of various truncated MR-DSRG methods (perturbation theory up to third order and iterative methods with single and double excitations) in computing the constants of 33 first-row diatomic molecules. The accuracy trends for these first-row diatomics are consistent with our previous benchmark on a small subset of closed-shell diatomic molecules. We then present the first MR-DSRG application on transition-metal complexes by computing the spin splittings of the [Fe(H 2 O) 6 ] 2+ and [Fe(NH 3 ) 6 ] 2+ molecules. A focal point analysis (FPA) shows that third-order perturbative corrections are essential to achieve reasonably converged energetics. The FPA based on the linearized MR-DSRG theory with one- and two-body operators and up to a quintuple- ζ basis set predicts the spin splittings of [Fe(H 2 O) 6 ] 2+ and [Fe(NH 3 ) 6 ] 2+ to be –35.7 and –17.1 kcal mol –1 , respectively, showing good agreement with the results of local CC theory with singles, doubles, and perturbative triples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

On the theory of quantum measurement

Many so called paradoxes of quantum mechanics are clarified when the measurement equipment is treated as a quantized system. Every measurement involves nonlinear processes. Self consistent formulations of nonlinear quantum optics are relatively simple. Hence optical measurements, such as the quantum nondemolition (QND) measurement of photon number, are particularly well suited for such a treatment. It shows that the so called 'collapse of the wave function' is not needed for the interpretation of the measurement process. Coherence of the density matrix of the signal is progressively reduced with increasing accuracy of the photon number determination. If the QND measurement is incorporated into the double slit experiment, the contrast ratio of the fringes is found to decrease with increasing information on the photon number in one of the two paths.

Haus, Hermann A.↗
DOE OSTI2016

Compactifications of deformed conifolds, branes and the geometry of qubits $\mathfrak S

We present three families of exact, cohomogeneity-one Einstein metrics in (2n + 2) dimensions, which are generalizations of the Stenzel construction of Ricci-flat metrics to those with a positive cosmological constant. The first family of solutions are Fubini-Study metrics on the complex projective spaces CP n+1 , written in a Stenzel form, whose principal orbits are the Stiefel manifolds V 2 ($\mathbb R^{2+3}$) = SO(n+2)/SO(n) divided by Z 2 . The second family are also Einstein-Kahler metrics, now on the Grassmannian manifolds G 2 (R n+3 ) = SO(n+3)/((SO(n+1)×SO(2)), whose principal orbits are the Stiefel manifolds V 2 ($\mathbb R^{2+3}$) (with no Z 2 factoring in this case). Furthermore, the third family are Einstein metrics on the product manifolds S n+1 × S n+1 , and are Kahler only for n = 1. Some of these metrics are believed to play a role in studies of consistent string theory compactifications and in the context of the AdS/CFT correspondence. Also, we elaborate on the geometric approach to quantum mechanics based on the Kahler geometry of Fubini-Study metrics on $\mathbb CP^{n+1}$, and we apply the formalism to study the quantum entanglement of qubits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications

Polystyrene (CH), commonly known as “plastic,” has been one of the widely used ablator materials for capsule designs in inertial confinement fusion (ICF). Knowing its precise properties under high-energy-density conditions is crucial to understanding and designing ICF implosions through radiation–hydrodynamic simulations. For this purpose, systematic ab initio studies on the static, transport, and optical properties of CH, in a wide range of density and temperature conditions (ρ= 0.1 to 100 g/cm 3 and T = 10 3 to 4 × 10 6 K), have been conducted using quantum molecular dynamics (QMD) simulations based on the density functional theory. We have built several wide-ranging, self-consistent material-properties tables for CH, such as the first-principles equation of state (FPEOS), the QMD-based thermal conductivity (Κ QMD ) and ionization, and the first-principles opacity table (FPOT). This paper is devoted to providing a review on (1) what results were obtained from these systematic ab initio studies; (2) how these self-consistent results were compared with both traditional plasma-physics models and available experiments; and (3) how these first-principles–based properties of polystyrene affect the predictions of ICF target performance, through both 1-D and 2-D radiation–hydrodynamic simulations. In the warm dense regime, our ab initio results, which can significantly differ from predictions of traditional plasma-physics models, compared favorably with experiments. When incorporated into hydrocodes for ICF simulations, these first-principles material properties of CH have produced significant differences over traditional models in predicting 1-D/2-D target performance of ICF implosions on OMEGA and direct-drive–ignition designs for the National Ignition Facility. Lastly, we will discuss the implications of these studies on the current small-margin ICF target designs using a CH ablator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

Pseudoclassical description of the Dirac Oscillator

In this paper we discuss the Dirac Oscillator wave equation in terms of pseudoclassical language, using Grassmann variables to describe the internal degrees of freedom of the oscillator. Regarding the original wave equation as a classical constraint, we use the theory of constrained systems, to develop a reparameterization invariant lagrangian, which is the pseudoclassical equivalent of the quantum case. The consistency of the Hamiltonian formalism and the quantization procedure are also analyzed.

Delsolmesa, Antonio↗