Surface adsorption of light gas atoms
Light gas atoms adsorption on solid surfaces, calculating wave function, energy, mobility, sticking coefficient, etc
Hollenbach, D.↗
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The stability of motion in a periodic cubic force field
Motion stability in periodic cubic force field, using nonliner differential equation integration with time periodic square wave function and Jacobian table
Bartlett, J. H.↗
Determination of molecular properties by the method of moments
Method of moments for determining wave functions used in calculating molecular properties
Epstein, S. T.↗
A density matrix approach to multiconfiguration calculations
Determination of density matrix components for multiconfiguration wave functions and Hamiltonian interaction matrices
Harriman, J. E.↗
Theory of reactive scattering. 6: Volterra equation formalism for coupled channel amplitude densities and modified wavefunctions
Volterra equation for coupled channel amplitude densities and modified wave functions
Kouri, D. J.↗
Properties of image-potential-induced surface states of insulators
Wave functions of image potential induced surface states of insulators
Cole, M. W.↗
An efficient method of energy projection
Nucleus energy spectra projection from Hartree- Fock intrinsic wave functions model space, using coupled orbital matrix elements
Braley, R. C.↗
A density matrix approach to multiconfiguration calculations
Density matrix components for multiconfiguration wave functions, constructing N electron /spin free/ Hamiltonian configuration interaction matrix
Harriman, J. E.↗
A development of the WKB approximation by use of transformations
WKB wave functions for one dimensional nonrelativistic problems by simple transformation derivation, solving by application of Liouville substitution to Schroedinger equation
Engelke, R.↗
Energy levels and transition probabilities for highly ionized atoms in the B I isoelectronic sequence
Hartree-Fock energy levels, transition probabilities and wave functions for highly ionized atoms in B I isoelectronic sequences, including spin-orbit interactions
Shamey, L. J.↗
Transition probabilities for Ar I
Transition probabilities for Ar I, using Coulomb approximation values of radial wave function integral
Chen, C. J.↗
Radioactive transitions in the helium isoelectronic sequence
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.
Dalgarno, A.↗
D autoionization states of He and ionic H
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.
Bhatia, A. K.↗
An investigation of satellites to the resonance lines in some hydrogen-like ions
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.
Jalufka, N. W.↗
Deformed Brueckner-Hartree-Fock calculations
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.
Ford, W. F.↗
Effect of core polarizability on photoionization cross-section calculations.
Demonstration of the importance of core polarizability in a case where cancellation is only moderate, with suggestion of an improvement to the scaled Thomas-Fermi (STF) wave functions of Stewart and Rotenberg (1965). The inclusion of dipole polarizability of the core for argon is shown to substantially improve the agreement between the theoretical and experimental photoionization cross sections for the ground-state configuration.
Kirkpatrick, R. C.↗
The method of models in variational scattering calculations.
It is shown that difficulties in atomic scattering calculations that stem from the use of inexact target wave functions can be overcome by employing the so-called method of models, provided that the projectile is distinguishable from the atomic electrons. The proposed method of models consists in replacing the target hamiltonian by a model hamiltonian, of which the appropriate target state is an eigenfunction. A connection with the positron scattering work of Peterkop and Rabik (1971) has been established.
Drachman, R. J.↗
Magnetic flux penetration into superconducting thin films.
The quantum-interference technique developed by Meservey (1965) is used to measure directly the absolute value of the penetration depth in lead in tin superconducting thin films. The technique assumes that the change in phase of the superconducting wave function around any contour within the superconductor must be 2 pi n, where n is a nonnegative integer. Results show that the critical current of a superconducting interferometer with two parallel junctions is not strictly periodic in the applied magnetic flux with a period equal to the flux quantum because of the magnetic field dependence of the critical currents of the junctions.
Peabody, G. E.↗