Assessment of adiabatic local-density approximation for nonlinear optical properties
Laser Programme, Centre for Advanced Technology, Indore 452013, India
Accepted: 15 October 1998
Published online: 15 February 1999
Employing a near exact Hylleraas wavefunction we calculate various third-order nonlinear optical properties for the helium atom within the time-dependent Kohn-Sham theory. In our calculations we employ the adiabatic local-density approximation (ALDA) for the exchange and correlation kernels fxc and gxc, and compare the numbers obtained by us with the available accurate theoretical as well as experimental results. Our results demonstrate the accuracy of ALDA for the calculation of nonlinear optical properties of many electron systems.
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, 1999