Zobrazeno 1 - 10
of 251
pro vyhledávání: '"Joseph Callaway"'
Publikováno v:
International Journal of Quantum Chemistry. 28:603-612
We have calculated the electronic structure of three small clusters of sodium consisting of 9, 15 and 27 atoms. These clusters have the cubic symmetry of the first three shells of atoms in body-centered cubic metallic sodium and were not allowed to r
Autor:
Joseph Callaway, S. P. Singhal
Publikováno v:
International Journal of Quantum Chemistry. 18:651-663
The application of scattering theory to calculate properties of defects in solids is reviewed. Expressions for the change in density of states and in the charge density are obtained. Recent applications of this method to atomic vacancies in silicon a
Publikováno v:
International Journal of Quantum Chemistry. 5:425-429
Electronic energy bands in nickel have been calculated using the tight-binding approximation. Atomic wave functions for all occupied states, 1s through 4s were included. Matrix elements were summed to convergence, including all three center contribut
Autor:
Joseph Callaway
Publikováno v:
International Journal of Quantum Chemistry. 2:277-283
The theory of spin waves in metals according to the energy band theory of ferromagnetism is reviewed. The RPA calculation of spin wave energies is shown to be inconsistent with the t-matrix criterion for the occurrence of ferromagnetism at low densit
Autor:
John J. Matese, Joseph Callaway
Publikováno v:
International Journal of Quantum Chemistry. 6:79-85
The close coupling method for electron-atom scattering is generalized and extended with the aid of the Nesbet variational method to provide a general procedure for the calculation of any transition. These features are introduced: (a) An arbitrary set
Autor:
Joseph Callaway, S. P. Singhal
Publikováno v:
International Journal of Quantum Chemistry. 16:363-366
The results of a first-principles calculation for the formation energy of a single vacancy in aluminum are reported. Solid-state scattering theory is modified to use localized Gaussian orbitals (instead of Wannier functions) and applied to evaluate t
Autor:
Joseph Callaway, JoAnn Callaway
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Publikováno v:
Physical Review B. 61:16582-16588
We report the results of an all electron self-consistent calculation of the electronic structure of ${\mathrm{CrO}}_{2}$ in the local spin-density approximation, employing an extended version of the linear combination of Gaussian orbitals method. ${\
Autor:
Joseph Callaway, A. James Hughes
Publikováno v:
International Journal of Quantum Chemistry. 1:769-771
A method of calculating the energies of bound states associated with imperfections described by short-range potentials in semiconductors is presented and applied. The method is based on solid-state scattering theory and involves expansion of physical
Autor:
Joseph Callaway, JoAnn Callaway
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