caa a22 4500 46581865X CHVBK 20180323112129.0 cr unu---uuuuu 170327e19900701xx s 000 0 eng 10.1007/BF01116548 doi (NATIONALLICENCE)springer-10.1007/BF01116548 Dipole Cauchy moments of the atoms H through Ar [Elektronische Daten] An application of the hydrodynamic formulation of time-dependent Kohn-Sham theory using the atomic gradient expansion of the exchange-correlation energy density functional [Libero Bartolotti, Qingshan Xie] 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. Springer-Verlag, 1990 Time-dependent Kohn-Sham theory nationallicence Density functional theory nationallicence Cauchy moments nationallicence Bartolotti Libero Department of Chemistry, University of Miami, 33124, Coral Gables, FL, USA aut Xie Qingshan Department of Chemistry, University of Miami, 33124, Coral Gables, FL, USA aut Theoretica chimica acta Springer-Verlag 77/4(1990-07-01), 239-251 0040-5744 77:4<239 1990 77 214 https://doi.org/10.1007/BF01116548 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01116548 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Bartolotti Libero Department of Chemistry, University of Miami, 33124, Coral Gables, FL, USA aut NATIONALLICENCE 700 1- Xie Qingshan Department of Chemistry, University of Miami, 33124, Coral Gables, FL, USA aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 77/4(1990-07-01), 239-251 0040-5744 77:4<239 1990 77 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer