ISSN:
1432-2234
Keywords:
Time-dependent Kohn-Sham theory
;
Density functional theory
;
Cauchy moments
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Dipole Cauchy moments of the atoms through Ar are calculated using the hydrodynamic formulation of time-dependent Kohn-Sham theory. The exchange-correlation energy density functional is approximated by the gradient expansion for atoms. Using variational trial functions that contain both linear and nonlinear variational parameters, we are able to reproduce (to three or four significant figures) the static dipole polarizabilities obtained by explicitly solving the relevant differential equations. The resulting dipole Cauchy moments provide a convenient starting point for calculating other properties which result from the linear interaction of atoms with a time varying electric field.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01116548
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