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Electronic excitation of H-2 by electron impact using soft norm-conserving pseudopotentials
(American Physical SocCollege PkEUA, 1996)
Low-energy electron scattering by CF4, CCl4, SiCl4, SiBr4, and SiI4
(American Physical SocCollege PkEUA, 1999)
Norm conserving pseudopotentials for c, n and o atoms
En este trabajo hacemos una breve revisi´on de la teor´ıa de los pseudopotenciales que conservan la norma. A partir de las auto energ´ıas y funciones propias de c´alculos autoconsistentes realizados para los ´atomos C, N ...
Static-exchange cross sections for electron-collisions with B2H6, C2H6, Si2H6, and Ge2H6
(Springer VerlagNew YorkEUA, 1998)
Comment on "going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to Na2 +" [J. Chem. Phys. 138, 054110 (2013)]
(2013)
The new coordinate-dependent pseudopotential for Na2 + by Kahros and Schwartz J. Chem. Phys. 138, 054110 (2013) is assessed and compared to the pseudopotential approach by Fuentealba Chem. Phys. Lett. 89, 418 (1982) which ...
Halogenation effects in electron scattering from CHF3, CH2F2, CH3F, CHCl3, CH2Cl2, CH3Cl, CFCl3, CF2Cl2, and CF3Cl
(American Physical SocCollege PkEUA, 1999)
Magneto-electronic properties and spin-resolved I-V curves of a Co/GeSe heterojunction diode: an ab initio study
(Springer, 2013-05)
We present ab initio calculations of magnetoelectronic and transport properties of the interface of hcp Cobalt (001) and the intrinsic narrow-gap semiconductor germanium selenide (GeSe). Using a norm-conserving pseudopotentials ...
Scattering of low-energy electrons by TiCl4, GeCl4, SiCl4 and CCl4: a comparison of elastic cross sections
(Iop Publishing LtdBristolInglaterra, 2000)