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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Some Aspects of the Implementation of Double Group Symmetry and Electron Correlation in Molecular 4-Component Calculations

The efficient implementation of method for electron correlation in molecular 4-component calculations demands that symmetry be exploited where possible. Algorithms for the construction of matrices and the transformation of integrals over symmetry-adapted basis functions, where the point group is restricted to D(sub 2h) and subgroups, will be presented. The merits of keeping the primitive integrals in the scalar basis will be compared with those of transforming them to the 2-spinor basis.

Dyall, Kenneth G.↗
NASA NTRS2007

General Forms of Wave Functions for Dipositronium, Ps2

The consequences of particle interchange symmetry for the structure of wave functions of the states of dipositronium was recently discussed by the author [I]. In the present work, the methodology is simply explained, and the wave functions are explicitly given.

Schrader, D.M.↗
NASA NTRS1986

Radiative transfer in a sphere illuminated by a parallel beam - An integral equation approach

The problem of multiple scattering of nonpolarized light in a planetary body of arbitrary shape illuminated by a parallel beam is formulated using the integral equation approach. There exists a simple functional whose stationarity condition is equivalent to solving the equation of radiative transfer and whose value at the stationary point is proportional to the differential cross section. The analysis reveals a direct relation between the microscopic symmetry of the phase function for each scattering event and the macroscopic symmetry of the differential cross section for the entire planetary body, and the interconnection of these symmetry relations and the variational principle. The case of a homogeneous sphere containing isotropic scatterers is investigated in detail. It is shown that the solution can be expanded in a multipole series such that the general spherical problem is reduced to solving a set of decoupled integral equations in one dimension. Computations have been performed for a range of parameters of interest, and illustrative examples of applications to planetary problems as provided.

Shia, R.-L.↗
NASA NTRS1979

The utilization of abelian point group symmetry in the graphical unitary group approach to the calculation of correlated electronic wavefunctions

A procedure is described for the utilization of abelian point group symmetry in the graphical unitary group approach (GUGA) to calculations of correlated electronic wavefunctions. The procedure is based on a recursively computed set of symmetry dependent counting indices, and results in the separate numbering, without gaps, of the Gelfand states (configuration functions) belonging to each symmetry species

Shavitt, I.↗
NASA NTRS1982

Asymptotic freedom in solids - A theorem

A cusp theorem is proved that relates the zero-separation value and slope of two-particle position correlation functions in quantum many-body systems with Coulombic interactions. The theorem is independent of the particle type and symmetry of the wave function. Its proof uses only the integral form of the Schroedinger equation and the continuity and exponential decay of the wave function. It is used to derive a sum rule for the electron-gas structure factor and an exact statement about the screening of point charges. Applications to atomic-orbital-based calculations for H2 and metallic H are described.

Carlsson, A. E.↗
NASA NTRS1994

An Exact Separation of the Spin-Free and Spin-Dependent Terms of the Dirac-Coulomb-Breit Hamiltonian

The Dirac Hamiltonian is transformed by extracting the operator (sigma x p)/2mc from the small component of the wave function and applying it to the operators of the original Hamiltonian. The resultant operators contain products of Paull matrices that can be rearranged to give spin-free and spin-dependent operators. These operators are the ones encountered in the Breit-Pauli Hamiltonian, as well as some of higher order in alpha(sup 2). However, since the transformation of the original Dirac Hamiltonian is exact, the new Hamiltonian can be used in variational calculations, with or without the spin-dependent terms. The new small component functions have the same symmetry properties as the large component. Use of only the spin-free terms of the new Hamiltonian permits the same factorization over spin variables as in nonrelativistic theory, and therefore all the post-Self-Consistent Field (SCF) machinery of nonrelativistic calculations can be applied. However, the single-particle functions are two-component orbitals having a large and small component, and the SCF methods must be modified accordingly. Numerical examples are presented, and comparisons are made with the spin-free second-order Douglas-Kroll transformed Hamiltonian of Hess.

Dyall, Kenneth G.↗
NASA NTRS1972

Theorems on symmetrics and flux conservation in radiative transfer using the matrix operator theory

The matrix operator approach to radiative transfer is shown to be a very powerful technique in establishing symmetry relations for multiple scattering in inhomogeneous atmospheres. Symmetries are derived for the reflection and transmission operators using only the symmetry of the phase function. These results will mean large savings in computer time and storage for performing calculations for realistic planetary atmospheres using this method. The results have also been extended to establish a condition on the reflection matrix of a boundary in order to preserve reciprocity. Finally energy conservation is rigorously proven for conservative scattering in inhomogeneous atmospheres.

Kattawar, G. W.↗
NASA NTRS1973

Theorems on symmetries and flux conservation in radiative transfer using the matrix operator theory.

The matrix operator approach to radiative transfer is shown to be a very powerful technique in establishing symmetry relations for multiple scattering in inhomogeneous atmospheres. Symmetries are derived for the reflection and transmission operators using only the symmetry of the phase function. These results will mean large savings in computer time and storage for performing calculations for realistic planetary atmospheres using this method. The results have also been extended to establish a condition on the reflection matrix of a boundary in order to preserve reciprocity. Finally energy conservation is rigorously proven for conservative scattering in inhomogeneous atmospheres.

Kattawar, G. W.↗
NASA NTRS1977

Statistical properties of the sound and source fields of an axisymmetric jet

It is shown, by measurements and analysis, that the sound field radiated from subsonic jets as well as the source field are statistically axially symmetric at lower frequencies. In this range, the source field behaves like a line-quadrupole. The sources are coherent with respect to phase and compact with respect to acoustic wavelength. The results are developed in terms of correlation, coherence, and phase. A new and simpler form of the source integral is obtained in the range where the phases are linear functions of frequency through symmetry, translation, and rotation of the axis.

Maestrello, L.↗
NASA NTRS1984

Asymmetric spline surfaces - Characteristics and applications

Asymmetric spline surfaces appear useful for the design of high-quality general optical systems (systems without symmetries). A spline influence function defined as the actual surface resulting from a simple perturbation in the spline definition array shows that a subarea is independent of others four or more points away. Optimization methods presented in this paper are used to vary a reflective spline surface near the focal plane of a decentered Schmidt-Cassegrain to reduce rms spot radii by a factor of 3 across the field.

Stacy, J. E.↗
NASA NTRS1986

Similarity considerations and conservation laws for magneto-static atmospheres

The equations of magnetohydrostatic equilibria for a plasma in a gravitational field are investigated analytically. For equilibria with one ignorable spatial coordinate, the equations reduce to a single nonlinear elliptic equation for the magnetic potential. Similarity solutions of the elliptic equation are obtained for the case of an isothermal atmosphere in a uniform gravitational field. The solutions are obtained from a consideration of the invariance group of the elliptic equation. The importance of symmetries of the elliptic equation also appears in the determination of conservation laws. It turns out that the elliptic equation can be written as a variational principle, and the symmetries of the variational functional lead (via Noether's theorem) to conservation laws for the equation. As an example of the application of the similarity solutions, a model magnetostatic atmosphere is constructed in which the current density J is proportional to the cube of the magnetic potential, and falls off exponentially with distance vertical to the base, with an 'e-folding' distance equal to the gravitational scale height. The solutions show the interplay between the gravitational force, the J x B force (B, magnetic field induction) and the gas pressure gradient.

Webb, G. M.↗
NASA NTRS2004

Plasma Dispersion Function for the Kappa Distribution

The plasma dispersion function is computed for a homogeneous isotropic plasma in which the particle velocities are distributed according to a Kappa distribution. An ordinary differential equation is derived for the plasma dispersion function and it is shown that the solution can be written in terms of Gauss' hypergeometric function. Using the extensive theory of the hypergeometric function, various mathematical properties of the plasma dispersion function are derived including symmetry relations, series expansions, integral representations, and closed form expressions for integer and half-integer values of K.

Podesta, John J.↗
NASA NTRS1981

An algorithm for the rapid location of an extreme of a function subject only to geometric restrictions

The requirements of symmetry and convexity in the application of algorithms for the minimization or maximization of a function are discussed. It is argued that if a function of a single variable is convex and symmetric in a neighborhood of an extremum, the extremum may be approximated to the precision that increases by at least a power of two per functional evaluation. The procedure may be used to drive a complex optimization procedure in the multivariate area estimation problem encountered in remote sensing.

Terrell, G. R.↗
NASA NTRS1990

Self-collimated electromagnetic jets from magnetized accretion disks - The even-symmetry case

This paper extends the previous treatment (Lovelace et al., 1987) of the origin of self-collimated EM jets to the case of even field symmetry, where the magnetic flux function Psi(r, z) is an even function of z. A viscous resistive accretion disk is assumed to surround a black hole with a force-free plasma outside of the disk. Inside the disk, the induction equation is solved for Psi(r, z) and the toroidal magnetic field. Outside the disk, previous results are used to study the formation of self-collimated EM jets. In contrast with the odd-symmetry case, for even symmetry the toroidal magnetic field acts to vertically compress the disk; a comparatively large toroidal magnetic field can exist inside the disk; and an appreciable fraction (possibly all) of the available accretion power can go into the jets.

Wang, J. C. L.↗
NASA NTRS1994

A method for correcting aspect solution errors in ROSAT HRI observations of compact sources

X-ray point sources observed with the ROSAT High Resolution Imager (HRI) often appear elongated over scales of approximately 5 sec-10 sec from the image core. This elongation has been attributed to errors in the attitude correction as the satellite is wobbled during the observations, and affects sources with both soft and hard X-ray spectra. In this paper, I report the results of an attempt to rid a high signal-to-noise observation of the soft X-ray point source HZ 43 of its characteristic elongation. I divided the observation into 181 separate images, each containing photons from only a small region on the detector through which the source passed during the satellite's wobble. By measuring the positions of the individual image centroids, I found clear evidence for systematic offsets from a common mean by up to approximately +/- 3 sec in both right ascension and declination as a function of phase in the satellite wobble. Shifting the subimages to a common center and then restacking them into a single image measurably improved the symmetry of the point-spread function. HRI observations are wobbled primarily to smooth out variations in the pixel-to-pixel sensitivity of the detector and also to extend the lifetime of the microchannel plates in the detector since these decay at a given location as a function of the number of photons detected. However, the elongations introduced by the aspect errors inhibit the identification of possible extended X-ray emission associated with sources such as pulsars and active galactic nuclei. In light of these results, I suggest that until the aspect errors are understood, observations of compact sources, where this effect may be important, should not be wobbled.

Morse, Jon A.↗
NASA NTRS1987

Postbuckling of laminated anisotropic panels

A two-part study of the buckling and postbuckling of laminated anisotropic plates with bending-extensional coupling is presented. The first part involves the development and application of a modified Rayleigh-Ritz analysis technique. Modifications made to the classical technique can be grouped into three areas. First, known symmetries of anisotropic panels are exploited in the selection of approximation functions. Second, a reduced basis technique based on these same symmetries is applied in the linear range. Finally, geometric boundary conditions are enforced via an exterior penalty function approach, rather than relying on choice of approximation functions to satisfy these boundary conditions. Numerical results are presented for both the linear and nonlinear range, with additional studies made to determine the effect of variation in penalty parameter and number of basis vectors. In the second part, six panels possessing anisotropy and bending-extensional coupling are tested. Detailed comparisons are made between experiment and finite element results in order to gain insight into the postbuckling and failure characteristics of such panels. The panels are constructed using two different lamination sequences, and panels with three different aspect ratios were constructed for each lamination sequence.

Jeffrey, Glenda L.↗