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Thomas-fermi model electron density with correct boundary conditions: Applications to atoms and ions

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Title Thomas-fermi model electron density with correct boundary conditions: Applications to atoms and ions
 
Creator PATIL, SH
 
Subject polarizabilities
ne
 
Description We propose an electron density in atoms and ions, which has the Thomas-Fermi-Dirac form in the intermediate region of r, satisfies the Kato condition for small r, and has the correct asymptotic behavior at large values of r, where r is the distance from the nucleus. We also analyze the perturbation in the density produced by multipolar fields. We use these densities in the Poisson equation to deduce average values of r(m), multipolar polarizabilities, and dispersion coefficients of atoms and ions. The predictions are in good agreement with experimental and other theoretical values, generally within about 20%. We tabulate here the coefficient A in the asymptotic density; radial expectation values [r(m)] for m = 2, 4, 6; multipolar polarizabilities alpha(1), alpha(2), alpha(3); expectation values [r(0)] and [r(2)] of the asymptotic electron density; and the van der Waals coefficient C-6 for atoms and ions with 2 greater than or equal to Z greater than or equal to 92. Many of our results, particularly the multipolar polarizabilities and the higher order dispersion coefficients, are the only ones available in the literature. The variation of these properties also provides interesting insight into the shell structure of atoms and ions. Overall, the Thomas-Ferrni-Dirac model with the correct boundary conditions provides a good global description of atoms and ions. (C) 1999
 
Publisher ACADEMIC PRESS INC
 
Date 2011-07-12T13:07:14Z
2011-12-26T12:48:54Z
2011-12-27T05:34:24Z
2011-07-12T13:07:14Z
2011-12-26T12:48:54Z
2011-12-27T05:34:24Z
1999
 
Type Article
 
Identifier ATOMIC DATA AND NUCLEAR DATA TABLES, 71(1), 41-68
0092-640X
http://dx.doi.org/10.1006/adnd.1998.0799
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3334
http://hdl.handle.net/10054/3334
 
Language en