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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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Multistate impact parameter treatment of heavy particle collisions modified to include higher state couplings for electronic wave functions
Coupled channel calculation of inelastic proton scattering from Ne 20 using Hartree-Fock wave functions
Electronic wave functions for atoms from atomic configuration-interaction /CI/ expansion for open shell states
Light gas atoms adsorption on solid surfaces, calculating wave function, energy, mobility, sticking coefficient, etc
Motion stability in periodic cubic force field, using nonliner differential equation integration with time periodic square wave function and Jacobian table
Method of moments for determining wave functions used in calculating molecular properties
Determination of density matrix components for multiconfiguration wave functions and Hamiltonian interaction matrices
Volterra equation for coupled channel amplitude densities and modified wave functions
Wave functions of image potential induced surface states of insulators
Nucleus energy spectra projection from Hartree- Fock intrinsic wave functions model space, using coupled orbital matrix elements
Density matrix components for multiconfiguration wave functions, constructing N electron /spin free/ Hamiltonian configuration interaction matrix
WKB wave functions for one dimensional nonrelativistic problems by simple transformation derivation, solving by application of Liouville substitution to Schroedinger equation
Hartree-Fock energy levels, transition probabilities and wave functions for highly ionized atoms in B I isoelectronic sequences, including spin-orbit interactions
Transition probabilities for Ar I, using Coulomb approximation values of radial wave function integral
The principles of the atomic spectrum theory are used to quantitatively analyze radiation transitions in two-electron helium-like atomic systems. Quantum theoretical methods, describing absorption and emission of a single photon in a radiative transition between two stationary states of an atomic system, reproduced the energy level diagram for the low lying states of helium. Reliable values are obtained from accurate variationally determined two-electron nonrelativistic wave functions for radiative transition probabilities of 2 3p states in the helium isoelectric sequence, and for the 2 1s and 2 3s1 states of the helium sequence.
Positions of the lowest 1,3De autoionization states of He and H(-) below the n = 2 level of the He(+) and H were calculated variationally, using Feshbach's Q-operator formalism. The trial wave function is of the Hylleraas-type with appropriate angular momentum factors. The widths and the shifts of the states have also been calculated. The shifts are found to be positive for all the states calculated here. The results with 112 terms for most states are lower than any previously calculated. The calculated lowest autoionization states of the He and H(-) (relative to the ground states of He and H respectively) are 59.902 eV and 10.1185 eV, in good agreement with the observed values of 59.9 eV and 10.13 + or 0.015 eV.
An experimental and theoretical investigation was conducted on the origin of satellite to resonance lines of the hydrogen-like ions of boron, carbon, and nitrogen. A theta pinch was employed with a grazing incidence spectrograph to measure the wavelengths of the satellites. The spectroscopic data also provided an estimate of the satellite/resonance line intensity ratio. Wavelengths of spectral lines due to transition from doubly excited states were calculated by a Hartree-Fock computer program. Wave functions were also calculated and were used to obtain the oscillator strengths of the transitions. Experimental work confirmed that the lines investigated were not satellites but were due to highly ionized argon which was present as an impurity in the filling gas.
The renormalized Brueckner-Hartree-Fock (RBHF) theory for many-body nuclear systems is generalized to permit calculations for intrinsic states having permanent deformation. Both Hartree-Fock and Brueckner self-consistencies are satisfied, and details of the numerical techniques are discussed. The Hamada-Johnston interaction is used in a study of deformations, binding, size, and separation energies for several nuclei. Electromagnetic transition rates, moments, and electron scattering form factors are calculated using nuclear wave functions obtained by angular momentum projection. Comparison is made to experiment as well as to predictions of ordinary and density-dependent Hartree-Fock Theory.