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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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Dirac equation for spin-half particles in curved space-time formulated by using Cartan calculus, applied to treatment of neutrinos in homogeneous nonisotropic universes and plane wave geometries
Polarization difference in elastic scattering of proton from Ar 40 and Ca 40 due to spin-orbit force difference
Energy levels and interband oscillator strengths of antimony calculated in Brillouin zone by pseudopotential method, predicting polarization effects and spin-orbit splittings
Anomalous behavior of superconducting transition temperature for certain magnetic ordering of paramagnetic impurities
Magnetic breakdown on usual effective Hamiltonian theory for Bloch electrons in magnetic field, using simple two-dimensional rectangular model
Molecular orbital techniques used to find cubic field splitting 3a of certain ions in periodic group II-VI compounds of T sub d symmetry
Spin-projected unrestricted self-consistent field /SCF/ methods for spin density calculations used to determine hyperfine coupling constants
Far IR absorption spectra of chromium and titanium ions in aluminum oxide crystal, indicating Jahn-Teller effect reduction of trigonal field and spin-orbit coupling
Capture probability at Venus resonant rotation rate implying fluid core similar to earth
Si and S ion oscillator strengths for resonance lines in solar spectrum, discussing spin-spin and spin-other orbit interactions
Ferromagnetic Ni band structure and Fermi surface including spin-orbit and exchange interactions obtained by Mueller interpolation scheme
The concepts and computational tools of theortical chemistry are used to investigate molecular properties needed in direct solar-pumped lasers. Compounds of the type RR'CXY, with R and R' organic groups, and X and Y halide atoms were identified as likely candidates because of their highly enhanced absorption coefficients over compounds with a single halide atom. The use of a combination of vibrational excitation followed by electronic excitation to enhance quantum yields at certain wavelengths is indicated. A self-consistent eikonal approximation to state-to-state transitions was tested for CH3I and is useful for other problems involving electronic energy and charge transfer. An approach to calculate potential energy surfaces and transition dipoles was developed which is based on the generation of eigenstates of the nonrelativisitc Hamiltonian followed by incorporation of the spin-orbit coupling by configuration interaction.
A formalism is presented for describing the collision of fluorine with the hydrogen molecule in the presence of intense radiation. For a laser frequency on the order of the spin-orbit splitting of fluorine, the interaction of the molecular system with the radiation occurs at relatively long range where, for this system, the electric dipole is vanishingly small. Hence the interaction occurs due to the magnetic dipole coupling. Even so, at low collision energies a substantial enhancement of the quenching cross section is found for a radiation intensity of 10 to the 11th W/sq cm.
Differential elastic cross sections of 42 MeV alpha particles scattering from He 3, using optical model with spin-orbit potential
The high resolution, intrinsic spectra of surface photovoltage are reported for semiconducting n-type CdS single crystals. At reduced temperatures (120-160 K) the spectra exhibit three sharp maxima due to A, B and C free exciton transitions. Energy positions of these lines and valence band parameters (spin-orbit and crystal field splittings) estimated from surface photovoltage are in good agreement with values obtained by other methods. The excitonic transitions are very sensitive to surface treatment, i.e. polishing, etching, background illumination and surface doping. The mechanism of direct interaction of free excitons with surface states is proposed to explain exciton lines in surface photovoltage.
The electronic states of Zn2 are investigated by ab initio polarization configuration-interaction calculations. Molecular states dissociating to Zn(1S) + Zn(1S, 3P, 1P) and Zn(3P) + Zn(3P) are treated. Important effects from states arising from Zn(+)(25) + Zn(-)(2P) are found in the potential-energy curves and electronic-transition moments. A model calculation for Hg2 based on the Zn2 curves and including spin-orbit coupling leads to a new interpretation of the emission bands in Hg vapor.
Theoretical calculations of selected excitation energies and oscillator strengths for Ba are presented that overcome the difficulties of previous theoretical treatments. A relativistic effective-core potential treatment is used to account for the relativistic core contraction, but the outermost ten electrons are treated explicitly. Core-valence correlation can be included in this procedure in a rigorous and systematic way through a configuration-interaction calculation. Insight is gained into the importance of relativistic effects by repeating many of the calculations using an all-electron nonrelativistic treatment employing an extended Slater basis set. It is found that the intensity of the intercombination line 3P1-1S0 is accurately determined by accounting for the deviation from LS coupling through spin-orbit mixing with the 1P1 state, and that deviations from the Lande interval rule provide an accurate measure of the degree of mixing.
Constraints were previously placed on various properties of a Mercurian liquid core for compatibility with Mercury's escape from the stable spin-orbit resonance with the spin angular velocity equal to twice the orbital mean motion (the 2n resonance), under the assumption that the planet's obliquity was nearly zero at the time of resonance passage. Capture probabilities at arbitrary nonzero obliquities for the 2n resonance are determined for the cases where the core is strongly or weakly coupled to the mantle. It is found that the capture probabilities are reduced to below unity for all core-fluid viscosities in the weak-coupling limit, but are almost unchanged in the strong-coupling limit. The reduction in capture probability is attributed to reduction of the mantle's spin angular velocity by the core-mantle interaction, which would also reduce the obliquity to negligibly small values before the 2n resonance was even reached. It is concluded that the constraints on the core may still be maintained since Mercury most likely passed through the 2n resonance with nearly zero obliquity.