Frequency dependent hyperpolarizabilities of atoms; calculations using density-functional theory

Details Frequency dependent hyperpolarizabilities of atoms; calculations using density-functional theory Frequency dependent hyperpolarizabilities of atoms; calculations using density-functional theory

2000-08-18

arxiv.org/abs/physics/0008139v1

Physics

Atomic Physics

13 pages of text and 7 figures

Scientific paper

Using the orbitals generated by the van Leeuwen-Baerends potential, we calculate frequency dependent response properties of noble gas atoms of He, Ne and Ar and alkaline earth atoms Be and Mg, with particlar emphasis on their nonlinear polarizabilities. For this we employ time-dependent Kohn-Sham formalism with adiabatic local-density aproximation (ALDA) for exchange and correlation. We show that results thus obtained for frequency dependent polarizabilities of the inert gas atoms are highly acurate. On the other hand, polarizabilities of the alkaline earths are not given with the same accuracy. In light of this, we make an assessment of ALDA for obtaining linear and nonlinear response properties by employing time-dependent density-functional theory.

Affiliated with

Also associated with

No associations

Rating

Frequency dependent hyperpolarizabilities of atoms; calculations using density-functional theory does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Frequency dependent hyperpolarizabilities of atoms; calculations using density-functional theory, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Frequency dependent hyperpolarizabilities of atoms; calculations using density-functional theory will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-555728