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Results for “resonance 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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Autoionization: Recent developments and applications

Among the topics discussed are: theory of resonance and autoionization of two-electron atoms and ions; projection and quasi-projection operators for electron impact resonances on many-electron atomic targets; and hole projection methods for calculating Feshbach resonances and inner-shell vacancies. Consideration is also given to: complex stabilization methods; complex coordinate and complex basis function calculations; and the variational principle. The application of autoionization calculations to solar and astrophysical plasma diagnostics is also discussed in detail.

Temkin, A.↗
NASA NTRS1987

Statistical equilibrium in cometary C2. IV - A 10 level model including singlet-triplet transitions

Resonance fluorescence theory was used to calculate the population distribution in the energy states of the C2 molecule in comets. Ten electronic states, each with 14 vibrational states, were used in the calculations. These new calculations differ from earlier work in terms of additional electronic levels and the role of singlet-triplet transitions between the b and X levels. Since transition moments are not known, calculations are made of observable flux ratios for an array of possible values. Comparison with existing observations indicates that the a-X transition is very important, and there is marginal indication that the b-X transition is present. Swan band sequence flux ratios at large heliocentric distance are needed, as are accurate Mulliken/Swan and Phillips/Ballik-Ramsay (1963) observations.

Krishna Swamy, K. S.↗
NASA NTRS1988

Calculations of rate constants for the three-body recombination of H2 in the presence of H2

A new global potential energy hypersurface for H2 + H2 is constructed and quasiclassical trajectory calculations performed using the resonance complex theory and energy transfer mechanism to estimate the rate of three body recombination over the temperature range 100 to 5000 K. The new potential is a faithful representation of ab initio electron structure calculations, is unchanged under the operation of exchanging H atoms, and reproduces the accurate H3 potential as one H atom is pulled away. Included in the fitting procedure are geometries expected to be important when one H2 is near or above the dissociation limit. The dynamics calculations explicitly include the motion of all four atoms and are performed efficiently using a vectorized variable-stepsize integrator. The predicted rate constants are approximately a factor of two smaller than experimental estimates over a broad temperature range.

Schwenke, David W.↗
NASA NTRS1988

Calculations of rate constants for the three-body recombination of H2 in the presence of H2

A new global potential energy hypersurface for H2 + H2 is constructed and quasiclassical trajectory calculations performed using the resonance complex theory and energy transfer mechanism to estimate the rate of three body recombination over the temperature range 100 to 5000 K. The new potential is a faithful representation of ab initio electron structure calculations, is unchanged under the operation of exchanging H atoms, and reproduces the accurate H3 potential as one H atom is pulled away. Included in the fitting procedure are geometries expected to be important when one H2 is near or above the dissociation limit. The dynamics calculations explicitly include the motion of all four atoms and are performed efficiently using a vectorized variable-stepsize integrator. The predicted rate constants are approximately a factor of two smaller than experimental estimates over a broad temperature range.

Schwenke, David W.↗
NASA NTRS1989

Introduction to dissociative recombination

Dissociative recombination (DR) of molecular ions with electrons has important consequences in many areas of physical science. Ab-initio calculations coupled with resonant scattering theory and multichannel quantum defect studies have produced detailed results illuminating the role of ion vibrational excitation, the quantum yields of the DR products, and the role of Rydberg states. The theoretical and experimental results are discussed.

Guberman, Steven L.↗
NASA NTRS1987

Effect of wave localization on plasma instabilities

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Levedahl, William Kirk↗
NASA NTRS1990

The theory of an auto-resonant field emission cathode relativistic electron accelerator for high efficiency microwave to direct current power conversion

A novel method of microwave power conversion to direct current is discussed that relies on a modification of well known resonant linear relativistic electron accelerator techniques. An analysis is presented that shows how, by establishing a 'slow' electromagnetic field in a waveguide, electrons liberated from an array of field emission cathodes, are resonantly accelerated to several times their rest energy, thus establishing an electric current over a large potential difference. Such an approach is not limited to the relatively low frequencies that characterize the operation of rectennas, and can, with appropriate waveguide and slow wave structure design, be employed in the 300 to 600 GHz range where much smaller transmitting and receiving antennas are needed.

Manning, Robert M.↗
NASA NTRS1992

Quasi-linear theory and transport theory

The theory of energetic particle scattering by magnetostatic fluctuations is reviewed in so far as it fails to produce the rigidity-independent mean-free-paths observed. Basic aspects of interplanetary magnetic field fluctuations are reviewed with emphasis placed on the existence of dissipation range spectra at high wavenumbers. These spectra are then incorporated into existing theories for resonant magnetostatic scattering and are shown to yield infinite mean-free-paths. Nonresonant scattering in the form of magnetic mirroring is examined and offered as a partial solution to the magnetostatic problem. In the process, mean-free-paths are obtained in good agreement with observations in the interplanetary medium at 1 AU and upstream of planetary bow shocks.

Smith, Charles W.↗
NASA NTRS1981

Theory of satellite orbit-orbit resonance

On the basis of the strong mathematical and physical parallels between orbit-orbit and spin-orbit resonances, the dynamics of mutual orbit perturbations between two satellites about a massive planet are examined, exploiting an approach previously adopted in the study of spin-orbit coupling. Resonances are found to exist when the mean orbital periods are commensurable with respect to some rotating axis, which condition also involves the apsidal and nodal motions of both satellites. In any resonant state the satellites are effectively trapped in separate potential wells, and a single variable is found to describe the simultaneous librations of both satellites. The librations in longitude are 180 deg out-of-phase, with fixed amplitude ratio that depends only on their relative masses and semimajor axes. The theory is applicable to Saturn's resonant pairs Titan-Hyperion and Mimas-Tethys, and in these cases the calculated libration periods are in reasonably good agreement with the observed periods.

Blitzer, L.↗
NASA NTRS1981

Tidal evolution of the Galilean satellites - A linearized theory

The Laplace resonance among the Galilean satellites Io, Europa, and Ganymede is traditionally reduced to a pendulum-like dynamical problem by neglecting short-period variations of several orbital elements. However, some of these variations that can now be neglected may once have had longer periods, comparable to the 'pendulum' period, if the system was formerly in deep resonance (pairs of periods even closer to the ratio 2:1 than they are now). In that case, the dynamical system cannot be reduced to fewer than nine dimensions. The nine-dimensional system is linearized here in order to study small variations about equilibrium. When tidal effects are included, the resulting evolution is substantially the same as was indicated by the pendulum approach, except that evolution out of deep resonance is found to be somewhat slower than suggested by extrapolation of the pendulum results. This slower rate helps support the hypothesis that the system may have evolved from deep resonance.

Greenberg, R.↗
NASA NTRS2008

Applications of the Hybrid Theory to the Scattering of Electrons from HE+ and Li++ and Resonances in these Systems

Applications of the hybrid theory to the scattering of electrons from Ile+ and Li++ and resonances in these systems, A. K. Bhatia, NASA/Goddard Space Flight Center- The Hybrid theory of electron-hydrogen elastic scattering [I] is applied to the S-wave scattering of electrons from He+ and Li++. In this method, both short-range and long-range correlations are included in the Schrodinger equation at the same time. Phase shifts obtained in this calculation have rigorous lower bounds to the exact phase shifts and they are compared with those obtained using the Feshbach projection operator formalism [2], the close-coupling approach [3], and Harris-Nesbet method [4]. The agreement among all the calculations is very good. These systems have doubly-excited or Feshbach resonances embedded in the continuum. The resonance parameters for the lowest ' S resonances in He and Li+ are calculated and they are compared with the results obtained using the Feshbach projection operator formalism [5,6]. It is concluded that accurate resonance parameters can be obtained by the present method, which has the advantage of including corrections due to neighboring resonances and the continuum in which these resonances are embedded.

Bhatia, Anand K.↗
NASA NTRS1975

On the tesseral-harmonics resonance problem in artificial-satellite theory

The longitude-dependent part of the geopotential usually gives rise only to short-period effects in the motion of an artificial satellite. However, when the motion of the satellite is commensurable with that of the earth, the path of the satellite repeats itself relative to the earth and perturbations build up at each passage of the satellite in the same spot, so that there can be important long-period effects. In order to take these effects into account in deriving a theoretical solution to the equations of motion of an artificial satellite, it is necessary to select terms in the longitude-dependent part of the geopotential that will contribute significantly to the perturbations. Attempts made to obtain a selection that is valid in a general case, regardless of the initial eccentricity of the orbit and of the order of the resonance, are reported. The solution to the equations of motion of an artificial satellite, in a geopotential thus determined, is then derived by using Hori's method by Lie series, which, by its properties regarding canonical invariance, has proved advantageous in the classical theory.

Romanowicz, B. A.↗
DOE OSTI2026

Non-resonant Raman optical activity from phase-space electronic structure theory

In order to model experimental non-resonant Raman optical activity, chemists must compute a host of second-order response tensors (e.g., the electric-dipole–magnetic-dipole polarizability) and their nuclear derivatives along a set of vibrational modes. While these response functions are almost always computed within a Born–Oppenheimer (BO) framework, here we provide a natural interpretation of the electric-dipole–magnetic-dipole polarizability within phase space electronic structure theory, a beyond-BO model whereby the electronic structure depends on nuclear momentum (P) in addition to nuclear position (R). By coupling to nuclear momentum, phase space electronic structure theory is able to capture the asymmetric response of the electronic properties to an external field, in so far as for a vibrating (non-stationary) molecule, $\frac{∂μ}{∂B}$≠$\frac{∂m}{∂F}$, where μ and m are the electrical linear and magnetic dipoles, and F and B are electric and magnetic fields. As an example, for a prototypical methyloxirane molecule, we show that phase space electronic structure theory is able to deliver a reasonably good match with experimental results in a manner that is formally invariant to gauge origin G 0 —provided that one uses a complete basis or, alternatively, gauge invariant atomic orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Super-resonant dark matter

We introduce Super-Resonant Dark Matter , a model of self-interacting dark matter based on the low energy effective theory of supersymmetric QCD. The structure of the theory ensures a resonant enhancement of the self-interactions of the low energy mesons, since their mass ratio is set by the number of colors and flavors. The velocity dependence of the resonantly enhanced self-interactions allows such theories to accommodate puzzles in small scale structure that arise from dark matter halos of different sizes. The dark matter mass is then predicted to be around 3–4 MeV, with its abundance set by freeze-in via a kinetically mixed dark photon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Surrogate models for linear response

Linear response theory is a well-established method in physics and chemistry for exploring excitations of many-body systems. In particular, the quasiparticle random-phase approximation (QRPA) provides a powerful microscopic framework by building excitations on top of the mean-field vacuum; however, its high computational cost limits model calibration and uncertainty quantification studies. Here, we present two complementary QRPA surrogate models and apply them to study response functions of finite nuclei. One is a reduced-order model that exploits the underlying QRPA structure, while the other utilizes the recently developed parametric matrix model algorithm to construct a map between the system’s Hamiltonian and observables. Our benchmark applications, the calculation of the electric dipole polarizability of 180 Yb and the 𝛽-decay half-life of 80 Ni, show that both emulators can achieve 0.1%–1% accuracy while offering a 6–7 orders of magnitude speedup compared to state-of-the-art QRPA solvers. These results demonstrate that the developed QRPA emulators are well positioned to enable Bayesian calibration and large-scale studies of computationally expensive physics models describing the properties of many-body systems.

Beta decay↗