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Polarizabilities and dispersion coefficients for alkali systems in second- and third-order perturbation

DSpace at IIT Bombay

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Field Value
 
Title Polarizabilities and dispersion coefficients for alkali systems in second- and third-order perturbation
 
Creator PATIL, SH
TANG, KT
 
Subject static hyperpolarizabilities
multipole polarizabilities
exchange energy
accurate values
atoms
li
forces
na
 
Description We have developed simple variational solutions for the first-order wavefunctions for alkali systems perturbed by a multipolar potential or an interatomic potential. These solutions are in conformity with the required asymptotic behaviour which is important in the analysis of the properties of atoms and ions at large separations. These wavefunctions are used to calculate polarizabilities, hyperpolarizabilities, and dispersion coefficients in second- and third-order perturbation. The second-order quantities are in agreement with established values. The third-order hyperpolarizabilities are in agreement with recent pseudopotential results. The third-order dispersion coefficients are expected to be considerably more accurate than earlier estimates. (C) 1999 .
 
Publisher ELSEVIER SCIENCE BV
 
Date 2011-07-26T11:08:40Z
2011-12-26T12:54:11Z
2011-12-27T05:41:41Z
2011-07-26T11:08:40Z
2011-12-26T12:54:11Z
2011-12-27T05:41:41Z
1999
 
Type Article
 
Identifier CHEMICAL PHYSICS LETTERS, 301(1-2), 64-72
0009-2614
http://dx.doi.org/10.1016/S0009-2614(99)00004-4
http://dspace.library.iitb.ac.in/xmlui/handle/10054/6887
http://hdl.handle.net/10054/6887
 
Language en