https://doi.org/10.1007/s100530050092
Nonlinear polarizabilities of atoms from their ground-state densities
Laser Programme,
Centre for Advanced Technology, Indore-452013, India
Corresponding author: a manoj@cat.ernet.in
Received:
23
June
1997
Revised:
25
September
1997
Accepted:
24
December
1997
Published online: 15 March 1998
Using density based perturbation theory [M.K. Harbola, A.
Banerjee, Phys. Lett. A 222, 315 (1996)], we calculate
the static hyperpolarizabilty γ for spherical atoms and
ions from their ground-state densities. Since densities are
being employed, calculations are performed using approximate
functionals for the kinetic and the exchange-correlation
energies. Use of densities - instead of the
wavefunctions or Kohn-Sham orbitals - reduces the computational
effort substantially. The results obtained are within 
of those calculated from the corresponding orbital-based calculations.
PACS: 31.15.Ew – Density-functional theory / 31.15.Md – Perturbation theory / 32.10.Dk – Electric and magnetic moments, polarizability
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1998
