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Results for “semiclassical 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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Calculation of pressure-broadened linewidths for CO in Ar

Calculations of the pressure-broadening cross sections of CO in Ar have been made within the infinite-order sudden (IOS) and coupled states (CS) quantum scattering approximations. Two intermolecular potentials were used, a pairwise additive atom-atom potential which has been employed previously in semiclassical (modified Anderson theory) studies of this system and one calculated ab initio within an electron gas formalism. Predictions from the two potentials generally agree within about 25 percent and bracket experimental values (except for some recent high temperature data obtained in shock tube experiments). The CS approximation appears to be quite accurate although computationally expensive. The much cheaper IOS approximation is accurate for the J = 0-1 line but does not properly predict the dependence on line number. The quantum results are also compared with earlier semiclassical values.

Green, S.↗
DOE OSTI2024

Null states and time evolution in a toy model of black hole dynamics

Abstract Spacetime wormholes can provide non-perturbative contributions to the gravitational path integral that make the actual number of statese S in a gravitational system much smaller than the number of states$$ {e}^{S_{\textrm{p}}} $$ e S p predicted by perturbative semiclassical effective field theory. The effects on the physics of the system are naturally profound in contexts in which the perturbative description actively involvesN=O(e S ) of the possible$$ {e}^{S_{\textrm{p}}} $$ e S p perturbative states; e.g., in late stages of black hole evaporation. Such contexts are typically associated with the existence of non-trivial quantum extremal surfaces. However, by forcing a simple topological gravity model to evolve in time, we find that such effects can also have large impact forN≪e S (in which case no quantum extremal surfaces can arise). In particular, even for smallN, the insertion of generic operators into the path integral can cause the non-perturbative time evolution to differ dramatically from perturbative expectations. On the other hand, this discrepancy is small for the special case where the inserted operators are non-trivial only in a subspace of dimensionD≪e S . We thus study this latter case in detail. We also discuss potential implications for more realistic gravitational systems.

Physics↗
DOE OSTI2022

Level density within a micro-macroscopic approach

Statistical level density $ρ$($E, A$) is derived for nucleonic system with a given energy $E$, particle number $A$ and other integrals of motion in the micro-macroscopic approximation beyond the standard saddle-point method of the Fermi gas model. This level density reaches the two limits; the well-known Fermi gas grand-canonical ensemble limit for a large entropy $S$ related to large excitation energies, and the finite micro-canonical limit for a small combinatorical entropy $S$ at low excitation energies. In conclusion, the inverse level density parameter $K$ as function of the particle number $A$ in the semiclassical periodic orbit theory, taking into account the extended Thomas-Fermi and Strutinsky shell corrections, is calculated and compared with experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Microscopic-macroscopic level densities for low excitation energies

Level density ρ(E,Q) is derived within the micro-macroscopic approximation (MMA) for a system of strongly interacting Fermi particles with the energy E and additional integrals of motion Q , in line with several topics of the universal and fruitful activity of A. S. Davydov. Within the extended Thomas Fermi and semiclassical periodic orbit theory beyond the Fermi-gas saddle-point method, we obtain ρ ∝ I ν (S)/S ν , where I ν (S) is the modified Bessel function of the entropy S . For small shell-structure contribution, one finds ν = κ/2 + 1, where κ is the number of additional integrals of motion. This integer number is a dimension of Q, Q = { N, Z , …} for the case of two-component atomic nuclei, where N and Z are the numbers of neutrons and protons, respectively. For much larger shell structure contributions, one obtains ν = κ /2 + 2. The MMA level density ρ reaches the well-known Fermi gas asymptote for large excitation energies and the finite micro-canonical combinatoric limit for low excitation energies. Further, the additional integrals of motion can also be the projection of the angular momentum of a nuclear system for nuclear rotations of deformed nuclei, number of excitons for collective dynamics, and so on. Fitting the MMA total level density ρ( E , Q) for a set of the integrals of motion Q = { N, Z }, to experimental data on a long nuclear isotope chain for low excitation energies, one obtains the results for the inverse level-density parameter K , which differs significantly from those of neutron resonances due to shell, isotopic asymmetry, and pairing effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Proton collisional excitation in the ground configuration of Fe/+12/.

Using semiclassical Coulomb excitation theory, proton collisional excitation and deexcitation cross sections are calculated for all transitions between the Fe(+12) ground configuration levels. Rate constants pertaining to these processes are then derived for coronal temperatures. These rates are shown to be comparable in all cases to the corresponding electron rate constants.

Landman, D. A.↗
NASA NTRS1973

Proton collisional excitation in the ground configuration of Fe/+12/. II

Improved values of the proton impact excitation cross sections at coronal energies for all the Fe(+12) ground configuration transitions are presented. These were obtained by direct computer integration of the Schroedinger equation (with the states expressed in intermediate coupling) resulting from the semiclassical Coulomb excitation theory formulation of the process. Comparison is made with previous results. The associated rate constants at coronal temperatures are given and compared with the corresponding electron impact excitation rate constants.

Landman, D. A.↗
NASA NTRS1975

Proton collisional excitation in the ground configurations of Fe/+12/ and Fe/+13/. III - Transitions between magnetic sublevels

Values of proton collisional cross-sections at coronal energies have been computer for all transitions between magnetic sublevels of the Fe(+12) and Fe(+13) ground configurations. Semiclassical Coulomb excitation theory was used with the resulting truncated Schroedinger equations being directly integrated. The corresponding rate constants for coronal temperatures are presented and comparison is made with previous results.

Landman, D. A.↗
NASA NTRS1978

Proton collisional excitation in the ground configuration of Fe/11+/

Proton collisional excitation cross sections at solar coronal energies for the Fe(11+) /3S(2)3p(3)/ ground-configuration transitions are presented. Semiclassical Coulomb excitation theory is used with direct integration of the resulting Schroedinger equation. The rate constants at coronal temperatures are compared with the corresponding ones for electron impact excitation.

Landman, D. A.↗
NASA NTRS1979

Proton collisional excitation in the lowest lying 3P terms of ions in the Be and Mg isoelectronic sequences

Proton collisional excitation cross sections and rate constants are presented for transitions between the 3P(J) fine-structure levels of the lowest-lying sp configurations in a number of astrophysically important ions belonging to the Be and Mg isoelectronic sequences. The calculations were made by direct integration of the Schroedinger equation resulting from semiclassical Coulomb excitation theory. The cross sections and rate constants for the 3P(J) transitions in the lowest-lying P(2) configurations are expected to be similar to those for the corresponding sp configuration transitions, and this is illustrated for C III. For the high-temperature ion Ca XVII alpha particle excitation is shown to be unimportant for situations involving ordinary values of the He/H abundance ratio. A simple, but apparently accurate method for determining certain radial integrals for low-lying excited configurations is proposed.

Landman, D. A.↗
NASA NTRS1980

Semi-classical Reissner-Nordstrom model for the structure of charged leptons

The lepton self-mass problem is examined within the framework of the quantum theory of electromagnetism and gravity. Consideration is given to the Reissner-Nordstrom solution to the Einstein-Maxwell classical field equations for an electrically charged mass point, and the WKB theory for a semiclassical system with total energy zero is used to obtain an expression for the Einstein-Maxwell action factor. The condition obtained is found to account for the observed mass values of the three charged leptons, and to be in agreement with the correspondence principle.

Rosen, G.↗
DOE OSTI2023

Orbit averaging coherent states: holographic three-point functions of AdS giant gravitons

We study correlation functions of two AdS giant gravitons in AdS 5 × S 5 and a BPS supergravity mode using holography. In the gauge theory these are described by BPS correlators of Schur polynomials of fully-symmetric representations and a single trace operator. We find full agreement between the semiclassical gravity and gauge theory computations at large N, for both diagonal and off-diagonal structure constants. Our analysis in $\mathcal{N}$ = 4 SYM provides a simpler derivation to the results in the literature, and it can be readily generalized to operators describing bound states of AdS giant gravitons as well as bubbling geometries.

1/N Expansion↗
NASA NTRS1979

Scale covariance and G-varying cosmology. II - Thermodynamics, radiation, and the 3 K background

Within the framework of a scale-covariant theory of gravitation, a semiclassical description of particles and photons is given. Thermodynamic relations consistent with the modified conservation equations are derived. Application to a system of radiation shows that the observed 3-K background radiation can be interpreted, within the present framework, as a remnant of equilibrium radiation in the past. As the theory postulates a nonstandard coupling between gravitation and electrodynamics, the assumption that Einstein's theory of gravitation is unchanged forces modifications at the atomic level. The use of Minkowskian spacetime in atomic physics is found to be adequate only over small, but not large, time scales compared with the age of the universe. As a result, a relation between energy and the frequency of a free photon is demonstrated. Possible observational consequences of this relation are discussed.

Canuto, V. M.↗
DOE OSTI2021

Semiclassical shell-structure micro-macroscopic approach for the level density

Level density ρ(E,A) is derived for a one-component nucleon system with a given energy E and particle number A within the mean-field semiclassical periodic-orbit theory beyond the saddle-point method of the Fermi gas model. We obtain ρ∝I ν (S)/S ν , with I ν (S) being the modified Bessel function of the entropy S. Within the micro-macro-canonical approximation (MMA), for a small thermal excitation energy U, with respect to rotational excitations E rot , one obtains ν = 3/2 for ρ(E,A). In the case of excitation energy U larger than E rot but smaller than the neutron separation energy, one finds a larger value of ν = 5/2. A role of the fixed spin variables for rotating nuclei is discussed. The MMA level density ρ reaches the well-known grand-canonical ensemble limit (Fermi gas asymptote) for large S related to large excitation energies, and also reaches the finite micro-canonical limit for small combinatorial entropy S at low excitation energies (the constant “temperature” model). Fitting the ρ(E,A) of the MMA to the experimental data for low excitation energies, taking into account shell and, qualitatively, pairing effects, one obtains for the inverse level density parameter K a value which differs essentially from that parameter derived from data on neutron resonances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Celestial gluon amplitudes from the outside in

We show that, given a two-dimensional realization of the celestial OPE in self-dual Yang-Mills, we can find a scalar source around which scattering amplitudes replicate correlation functions computed from the 2D ‘gluon’ operators in a limit where a dynamic massless scalar decouples. We derive conditions on the two-dimensional three-point correlation function so that such a source exists and give two particular examples of this construction, one in which gluons are constructed from vertex operators in the semiclassical limit of Liouville theory and another in which the soft gluons arise from generalized free fields. Finally, we identify a bulk dual to the level of the boundary Kac-Moody algebra and discuss moving beyond the decoupling limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Electron transfer in a crystalline cytochrome with four hemes

Diffusion of electrons over distances on the order of 100 μm has been observed in crystals of a small tetraheme cytochrome (STC) from Shewanella oneidensis [J. Huang et al . J. Am. Chem. Soc. 142, 10459–10467 (2020)]. Electron transfer between hemes in adjacent subunits of the crystal is slower and more strongly dependent on temperature than had been expected based on semiclassical electron-transfer theory. Here, in this work, we explore explanations for these findings by molecular-dynamics simulations of crystalline and monomeric STC. New procedures are developed for including time-dependent quantum mechanical energy differences in the gap between the energies of the reactant and product states and for evaluating fluctuations of the electronic-interaction matrix element that couples the two hemes. Rate constants for electron transfer are calculated from the time- and temperature-dependent energy gaps, coupling factors, and Franck–Condon-weighted densities of states using an expression with no freely adjustable parameters. Back reactions are considered, as are the effects of various protonation states of the carboxyl groups on the heme side chains. Interactions with water are found to dominate the fluctuations of the energy gap between the reactant and product states. The calculated rate constant for electron transfer from heme IV to heme Ib in a neighboring subunit at 300 K agrees well with the measured value. However, the calculated activation energy of the reaction in the crystal is considerably smaller than observed. We suggest two possible explanations for this discrepancy. The calculated rate constant for transfer from heme I to II within the same subunit of the crystal is about one-third that for monomeric STC in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum mechanical theories of collision induced electronic transitions. Within the two state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases are considered: the avoided crossing between two potential surfaces; and the spin orbit interaction due to a P-2 halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗
DOE OSTI2023

Constraining braneworlds with entanglement entropy

We propose swampland criteria for braneworlds viewed as effective field theories of defects coupled to semiclassical gravity. We do this by exploiting their holographic interpretation. We focus on general features of entanglement entropies and their holographic calculations. Entropies have to be positive. Furthermore, causality imposes certain constraints on the surfaces that are used holographically to compute them, most notably a property known as causal wedge inclusion. As a test case, we explicitly constrain the Dvali-Gabadadze-Porrati term as a second-order-in-derivatives correction to the Randall-Sundrum action. We conclude by discussing the implications of these criteria for the question on whether entanglement islands in theories with massless gravitons are possible in Karch-Randall braneworlds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗