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At least 217 records · Page 12

Nonlinear stability of solar type 3 radio bursts. 1: Theory

A theory of the excitation of solar type 3 bursts is presented. Electrons initially unstable to the linear bump-in-tail instability are shown to rapidly amplify Langmuir waves to energy densities characteristic of strong turbulence. The three-dimensional equations which describe the strong coupling (wave-wave) interactions are derived. For parameters characteristic of the interplanetary medium the equations reduce to one dimension. In this case, the oscillating two stream instability (OTSI) is the dominant nonlinear instability, and is stablized through the production of nonlinear ion density fluctuations that efficiently scatter Langmuir waves out of resonance with the electron beam. An analytical model of the electron distribution function is also developed which is used to estimate the total energy losses suffered by the electron beam as it propagates from the solar corona to 1 A.U. and beyond.

Smith, R. A.↗

Nonlinear stability of solar type III radio bursts. I - Theory

A theory of the excitation of solar type III bursts is presented. Electrons initially unstable to the linear bump-in-tail instability are shown to rapidly amplify Langmuir waves to energy densities characteristic of strong turbulence. The three-dimensional equations which describe the strong coupling (wave-wave) interactions are derived. For parameters characteristic of the interplanetary medium the equations reduce to one-dimension. In that case the oscillating two-stream instability (OTSI) is the dominant nonlinear instability. OTSI is stabilized through the production of nonlinear ion density fluctuations that efficiently scatter Langmuir waves out of resonance with the electron beam. An analytical model of the electron distribution function is also developed which is used to estimate the total energy losses suffered by the electron beam as it propagates from the solar corona to 1 AU and beyond.

Smith, R. A.↗

Experimental determination of the 1 Sigma(+) state electric dipole moment function of carbon monoxide up to a large internuclear separation

Experimental intensity information is combined with numerically obtained vibrational wave functions in a nonlinear least-squares fitting procedure to obtain the ground electronic state electric dipole moment function of carbon monoxide valid in the range of nuclear oscillation (0.87-1.91 A) of about the V = 38th vibrational level. Vibrational transition matrix elements are computed from this function for Delta V = 1, 2, 3 with V not more than 38.

Chackerian, C., Jr.↗

Theory of waves incoherently scattered

Electromagnetic waves impinging upon a plasma at frequencies larger than the plasma frequency, suffer weak scattering. The scattering arises from the existence of electron density fluctuations. The received signal corresponds to a particular spatial Fourier component of the fluctuations, the wave vector of which is a function of the wavelength of the radiowave. Wavelengths short with respect to the Debye length of the medium relate to fluctuations due to non-interacting Maxwellian electrons, while larger wavelengths relate to fluctuations due to collective Coulomb interactions. In the latter case, the scattered signal exhibits a spectral distribution which is characteristic of the main properties of the electron and ion gases and, therefore, provides a powerful diagnosis of the state of the ionosphere.

Bauer, P.↗

D-Wave Electron-H, -He+, and -Li2+ Elastic Scattering and Photoabsorption in P States of Two-Electron Systems

In previous papers [A. K. Bhatia, Phys. Rev. A 85, 052708 (2012); 86, 032709 (2012); 87, 042705 (2013)] electron-H, -He+, and -Li2+ P-wave scattering phase shifts were calculated using the variational polarized orbital theory. This method is now extended to the singlet and triplet D-wave scattering in the elastic region. The long-range correlations are included in the Schrodinger equation by using the method of polarized orbitals variationally. Phase shifts are compared to those obtained by other methods. The present calculation provides results which are rigorous lower bonds to the exact phase shifts. Using the presently calculated D-wave and previously calculated S-wave continuum functions, photoionization of singlet and triplet P states of He and Li+ are also calculated, along with the radiative recombination rate coefficients at various electron temperatures.

D-wave↗

A study of electron density profiles in relation to ionization sources and ground-based radio wave absorption measurements, part 2

The D-region ion production functions are used to calculate the relationship between radio wave absorption and the flux level of X-rays in the 1-8A wavelength band. In order to bring this calculation into agreement with the empirically established relationship, it was found necessary to reduce by, a factor of about 5, the Meira nitric oxide densities below 90 km.

Gnanalingam, S.↗

Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four tautomeric forms are considered, and their energetic order is found to be different on the ground and the excited state potential energy surfaces. Minimum energy reaction paths are obtained for hydrogen atom transfer (tautomerization) reactions in the ground and the lowest excited electronic states. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic states, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. This tautomerization process should become possible in the presence of water or other polar solvent molecules and should play an important role in the photochemistry of adenine.

Salter, Latasha M.↗

The scattering of low energy positrons by helium

Kohn's variational method is used to calculate the positron-helium scattering length and low energy S-wave phase shifts for a quite realistic Hylleraas type of helium function containing an electron-electron correlation term. The zero energy wavefunction is used to calculate the value of the annihilation rate parameter Z sub eff. All the results are significantly different from those for Drachman's helium model B, but are in better agreement with the available experimental data.

Humberston, J. W.↗

Correlation of molecular valence- and K-shell photoionization resonances with bond lengths

The relationship between the interatomic distance and the positions of valence-shell and K-shell sigma(asterisk) photoionization resonances is investigated theoretically for the molecules C2, F2, N2, O2, CO, NO, C2H2, C2H4, C2H6, HCN, H2CO, N20, CO2, and C2N2. The results of molecular-orbital computations are presented in three-dimensional diagrams, which are shown to be similar to the wave functions of a particle in a cylindrical well, confirming the validity of free-electron molecular-orbital (FEMO) approximations for modeling the potential along the symmetry axis. FEMO orbital energies and resonance positions are found to be in good agreement with previous theoretical and experimental results. Also included is a Feshbach-Fano analysis of the relevance of virtual-valence orbitals to the appearance of single-channel resonances in molecular photoionization cross sections.

Sheehy, J. A.↗

Accurate quantum chemical calculations

An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

Bauschlicher, Charles W., Jr.↗

Chirped-Superlattice, Blocked-Intersubband QWIP

An Al(x)Ga(1-x)As/GaAs quantum-well infrared photodetector (QWIP) of the blocked-intersubband-detector (BID) type, now undergoing development, features a chirped (that is, aperiodic) superlattice. The purpose of the chirped superlattice is to increase the quantum efficiency of the device. A somewhat lengthy background discussion is necessary to give meaning to a brief description of the present developmental QWIP. A BID QWIP was described in "MQW Based Block Intersubband Detector for Low-Background Operation" (NPO-21073), NASA Tech Briefs Vol. 25, No. 7 (July 2001), page 46. To recapitulate: The BID design was conceived in response to the deleterious effects of operation of a QWIP at low temperature under low background radiation. These effects can be summarized as a buildup of space charge and an associated high impedance and diminution of responsivity with increasing modulation frequency. The BID design, which reduces these deleterious effects, calls for a heavily doped multiple-quantum-well (MQW) emitter section with barriers that are thinner than in prior MQW devices. The thinning of the barriers results in a large overlap of sublevel wave functions, thereby creating a miniband. Because of sequential resonant quantum-mechanical tunneling of electrons from the negative ohmic contact to and between wells, any space charge is quickly neutralized. At the same time, what would otherwise be a large component of dark current attributable to tunneling current through the whole device is suppressed by placing a relatively thick, undoped, impurity-free AlxGa1 x As blocking barrier layer between the MQW emitter section and the positive ohmic contact. [This layer is similar to the thick, undoped Al(x)Ga(1-x)As layers used in photodetectors of the blocked-impurity-band (BIB) type.] Notwithstanding the aforementioned advantage afforded by the BID design, the responsivity of a BID QWIP is very low because of low collection efficiency, which, in turn, is a result of low electrostatic- potential drop across the superlattice emitter. Because the emitter must be electrically conductive to prevent the buildup of space charge in depleted quantum wells, most of the externally applied bias voltage drop occurs across the blocking-barrier layer. This completes the background discussion. In the developmental QWIP, the periodic superlattice of the prior BID design is to be replaced with the chirped superlattice, which is expected to provide a built-in electric field. As a result, the efficiency of collection of photoexcited charge carriers (and, hence, the net quantum efficiency and thus responsivity) should increase significantly.

Gunapala, Sarath↗

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Huang, K.-N.↗

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N1

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N(I) lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strength over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s(sup 2)p(sup 3) (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0), 2s2p(sup 4) (sup 4)P, 2s(sup 2)2p(sup 2)3s (sup 4)P, and (sup 2)P terms and from these levels to the levels of the 2s(sup 2)2p(sup 2)3p (sup 2)S(sup 0), (sup 4)D(sup 0), (sup 4)P(sup 0), (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0),2s(sup 2)2p(sup 2)3s(sup 2)D, 2s(sup 2)2p(sup 2)4s(sup 4)P, (sup 2)P, 2s(sup 2)2p(sup 2)3d(sup 2)P, (sup 4)F,(sup 2)F,(sup 4)P, (sup 4)D, and (sup 2)D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Tayal, S. S.↗

Ultralow Frequency Waves as an Intermediary for Solar Wind Energy Input Into the Radiation Belts

Enhancements of electron fluxes in the outer radiation belt have been closely linked to increases in solar wind speed and density as well as to prolonged intervals of southward interplanetary magnetic field. Periodic oscillations in the Earth's magnetic field with frequencies in the range of a few millihertz (ultralow frequency or ultralow frequency waves) may be an intermediary through which these solar wind drivers influence radiation belt dynamics due to their potential for resonant interactions with energetic electrons causing the radial migration of resonant electrons. Using data from more than 180 ground magnetometers contributing to the worldwide SuperMAG collaboration, we explore possible relationships between relativistic electron flux variations and the spatial and temporal profiles of ultralow frequency wave power contained in the Pc5 frequency band (2–7 mHz). During 19 geomagnetic storms marked by relativistic (1.5 MeV < E < 6 MeV) electron flux enhancements and 19 storms that led to prolonged electron flux depletions, Pc5 wave power is found penetrating to L shells as low as 2–3. The enhancement of Pc5 wave power starts almost simultaneously with the storm onset. The depth of wave activity penetration was found associated with the strength of geomagnetic activity (Spearman's ρ = 0.54), which is also related to the location of electron flux maximum observed in the recovery phase. Pc5 wave activity persists longer (for up to ≈62 hr) for those storms that produced relativistic electrons. We also investigate the combination of interplanetary conditions necessary to differentiate the response of relativistic electron fluxes to geomagnetic storms. A coupling function that captures the increased reconnection rate at the dayside magnetopause affecting magnetospheric processes which may produce Pc5 wave power offers an additional key to further understanding the outer belt dynamics.

Georgiou, M.↗

Application of P-wave Hybrid Theory to the Scattering of Electrons from He+ and Resonances in He and H ion

The P-wave hybrid theory of electron-hydrogen elastic scattering [Phys. Rev. A 85, 052708 (2012)] is applied to the P-wave scattering from He ion. In this method, both short-range and long-range correlations are included in the Schroedinger equation at the same time, by using a combination of a modified method of polarized orbitals and the optical potential formalism. The short-correlation functions are of Hylleraas type. It is found that the phase shifts are not significantly affected by the modification of the target function by a method similar to the method of polarized orbitals and they are close to the phase shifts calculated earlier by Bhatia [Phys. Rev. A 69, 032714 (2004)]. This indicates that the correlation function is general enough to include the target distortion (polarization) in the presence of the incident electron. The important fact is that in the present calculation, to obtain similar results only a 20-term correlation function is needed in the wave function compared to the 220- term wave function required in the above-mentioned calculation. Results for the phase shifts, obtained in the present hybrid formalism, are rigorous lower bounds to the exact phase shifts. The lowest P-wave resonances in He atom and hydrogen ion have been calculated and compared with the results obtained using the Feshbach projection operator formalism [Phys. Rev. A, 11, 2018 (1975)]. 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, bound states and the continuum in which these resonance are embedded.

Bhatia, A. K.↗

Electron density-sensitive line ratios for Fe XII in the solar corona

The collision strengths for electron-impact excitation of fine-structure transitions from the ground 3s23p3 configuration to the excited 3s3p4 configuration in Fe XII are presented. These are calculated by transforming the K-matrices obtained in a nonrelativistic R-matrix method to K-matrices in intermediate coupling using term-coupling coefficients which take into account the effect of breakdown of target LS coupling. Extensive configuration-interaction wave functions are used to represent the target states. The effective collision strengths are determined assuming a Maxwellian distribution of electron energies. Rydberg series of resonances converging to the excited state thresholds are explicitly included in the calculation. The relative level populations and emission-line strengths for Fe XII are calculated using the new atomic data presented in this paper and that published by Tayal, Henry, and Pradhan (1987) and Tayal and Henry (1986) over a wide range of electron densities and temperatures (1-2 x 10 to the 6th K). Present results for collision strengths and emission-line strengths are compared with the previous calculation of Flower (1977). Some significant differences are noted.

Tayal, S. S.↗

Ground state energy of electrons in a static point-ion lattice

The ground state energy of a neutral collection of protons and electrons was investigated under the assumption that in the ground state configuration, static protons occupy the sites of a rigid Bravais lattice. The Wigner-Seitz method was used in conjunction with three postulated potentials: bare Coulomb, Thomas-Fermi screening, and screening by a uniform bare background charge. Within these approximations, the exact band-minimum energy and wave functions are derived. For each of the three potentials, the approximate minimum ground state energy per proton (relative to isolated electrons and protons) is, respectively, -1.078 Ry, -1.038 Ry, and -1.052 Ry. These three minima all fall at a density of about 0.60 gm/cu cm, which is thus an approximate lower bound on the density of metallic hydrogen at its transition pressure.

Styer, D. F.↗