Quadrupole and octupole Cauchy moments of the atoms through argon

Abstract

AbstractQuadrupole and octupole Cauchy moments of the atoms through argon are calculated using the hydrodynamic formulation of time‐dependent Kohn–Sham theory. The exchange‐correlation energy density functional is approximated by a gradient expansion for atoms that has an explicit dependence upon the number of electrons. The first‐order corrections to the Kohn–Sham amplitudes and phases are found by seeking variational solutions of the derived sequential set of functionals. The trial functions employed contain both linear and nonlinear variational parameters and are thus flexible enough to provide rapid convergence to the multipole polarizabilities. The resulting Cauchy moments provide information that allows the calculation of various properties that result from the linear interaction of atoms with a time‐varying electric field. © 1994 John Wiley & Sons, Inc.