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All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections: Electron-Hydrogen Elastic Scattering - Part 1

We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

Bhatia, A. K.↗
NASA NTRS2012

Hybrid Theory of P-Wave Electron-Hydrogen Elastic Scattering

We report on a study of electron-hydrogen scattering, using a combination of a modified method of polarized orbitals and the optical potential formalism. The calculation is restricted to P waves in the elastic region, where the 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. 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 35-term correlation function is needed in the wave function compared to the 220-term wave function required in the above-mentioned previous calculation. Results for the phase shifts, obtained in the present hybrid formalism, are rigorous lower bounds to the exact phase shifts.

Bhatia, Anand↗
NASA NTRS1984

Properties of the Upper Tropospheres of Uranus and Neptune Derived from Observations at Visible to Near-Infrared Wavelengths

Photons at wavelengths between 0.3 and 4.5 microns penetrate the atmospheres of Uranus and Neptune to pressures between about 0.01 bar and 10 bars. This pressure range brackets the radiative convective boundary in both atmospheres and is therefore designated upper troposphere. Physical processes which govern the transfer of radiation in Uranus's and Neptune's atmospheres at these wavelengths include Rayleigh/Raman scattering by hydrogen, scattering and broadband absorption by suspended aerosol particles and absorption in discrete bands and lines by methane and hydrogen. Consequently, tropospheric properties constrained by observations at these wavelengths include optical properties and distribution of aerosol particles, methane/hydrogen ratio, and ortho/para hydrogen ratio. Recent observations of Uranus and Neptune in this spectral range, are reviewed and compared with predictions based on models of the atmospheric structures. Significant results for Uranus include the presence of an opaque lower boundary to the visible atmosphere very near the level corresponding to 2 bars pressure, and consequently a methane/hydrogen ratio no less than 3 percent.

Bergstralh, J. T.↗
NASA NTRS1975

Positronium-hydrogen elastic scattering

Elastic scattering of positronium atoms by hydrogen atoms below the excitation threshold at 5.1 eV is investigated with the investigation limited to the spin-zero (singlet) state of the two electrons. Nonresonant S-wave phase shifts have been obtained from normalizable trial functions by extracting the center-of-mass wave function and examining its spatial behavior. An effective-range expansion is fitted to the phase shifts and the previously obtained positronium-hydride bound-state energy to yield a scattering length approximately equal to 5.3 Bohr radii as compared with Fraser's (1961) corrected exchange result of 7.28 Bohr radii. The stabilization method suggests that a resonance occurs at a scattering energy of 4.5 eV, about 0.6 eV below the excitation threshold. Using the complex-rotation method, evidence is obtained which confirms the existence of the resonance, and its width is estimated to be about 0.06 eV.

Drachman, R. J.↗
NASA NTRS1994

The Use of Spontaneous Raman Scattering for Hydrogen Leak Detection

A fiber optic probe has been built and demonstrated that utilizes back scattered spontaneous Raman spectroscopy to detect and identify gaseous species. The small probe, coupled to the laser and data acquisition equipment with optical fibers, has applications in gaseous leak detection and process monitoring. The probe design and data acquisition system are described. Raman scattering theory has been reviewed and the results of intensity calculations of hydrogen and nitrogen Raman scattering are given. Because the device is in its developmental stage, only preliminary experimental results are presented here. Intensity scans across the rotational-vibrational Raman lines of nitrogen and hydrogen are presented. Nitrogen at a partial pressure of 0.077 MPa was detected. Hydrogen at a partial pressure of 2 kPa approached the lower limit of detectability with the present apparatus. Potential instrument improvements that would allow more sensitive and rapid hydrogen detection are identified.

Degroot, Wim A.↗
NASA NTRS1989

A study of pseudoresonances in the application of the Schwinger variational principle to electron scattering from atomic hydrogen

The Schwinger variational principle is applied to s-wave electron-hydrogen atom scattering. Computationally, consistent with a recent paper by Apagyi et al. (1988), there are pseudoresonances at the static exchange level of approximation, but not at the static level. The T-matrix as well as the K-matrix version of the Schwinger principle is used with a real Slater basis, and the same results are obtained in both. The origin of the pseudoresonances from singularities in the separable potential that is effectively employed in the Lippman-Schwinger equation from which the Schwinger variational principle can be derived. The determination of the pseudoresonance parameters from the separable potential is computationally inexpensive and may be used to predict the pseudoresonance parameters for the scattering calculations so as to avoid them.

Weatherford, Charles A.↗
NASA NTRS2007

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition: Inclusion of Correlation Effects - III

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

Shertzer, Janine↗
NASA NTRS2004

Electron-Hydrogen Elastic Scattering

Scattering by single-electron systems is always of interest because the wave function of the target is known exactly. Various approximations have been employed to take into account distortion produced in the target. Among them are the method of polarized orbitals and the close coupling approximation. Recently, e-H and e-He+ S-wave scattering in the elastic region has been studied using the Feshbach projection operator formalism. In this approach, the usual Hartree-Fock and exchange potentials are augmented by an optical potential and the resulting phase shifts have rigorous lower bounds. Now this method is being applied to the e-H P-wave scattering in the elastic region. The number of terms in the Hylleraas-type wave function for the 1,3 P phase shifts is 84 and the resulting phase shifts (preliminary) are given. The results have been given up to five digits because to that accuracy they are rigorous lower bounds. They are in general agreement with the variational (VAR) results of Armstead, and those obtained from the intermediate energy R-matrix method (RM) of Scholz et al., and the finite element method (FEM) of Botero and Shertzer. The later two methods do not provide any bounds on phase shifts.

Bhatia, A. K.↗
NASA NTRS2007

Hybrid Theory of Electron-Hydrogenic Systems Elastic Scattering

Accurate electron-hydrogen and electron-hydrogenic cross sections are required to interpret fusion experiments, laboratory plasma physics and properties of the solar and astrophysical plasmas. We have developed a method in which the short-range and long-range correlations can be included at the same time in the scattering equations. The phase shifts have rigorous lower bounds and the scattering lengths have rigorous upper bounds. The phase shifts in the resonance region can be used to calculate very accurately the resonance parameters.

Bhatia, A. K.↗
NASA NTRS2003

Approximating the Helium Wavefunction in Positronium-Helium Scattering

In the Kohn variational treatment of the positronium- hydrogen scattering problem the scattering wave function is approximated by an expansion in some appropriate basis set, but the target and projectile wave functions are known exactly. In the positronium-helium case, however, a difficulty immediately arises in that the wave function of the helium target atom is not known exactly, and there are several ways to deal with the associated eigenvalue in formulating the variational scattering equations to be solved. In this work we will use the Kohn variational principle in the static exchange approximation to d e t e e the zero-energy scattering length for the Ps-He system, using a suite of approximate target functions. The results we obtain will be compared with each other and with corresponding values found by other approximation techniques.

DiRienzi, Joseph↗