Abstract
Two computational methods developed recently [McNamara, Fursa, and Bray, Phys. Rev. A 98, 043435 (2018)] for calculating Rayleigh and Raman scattering cross sections for atomic hydrogen have been extended to quasi one-electron systems. A comprehensive set of cross sections have been obtained for the alkali atoms: lithium, sodium, potassium, rubidium, and cesium. These cross sections are accurate for incident photon energies above and below the ionization threshold, but they are limited to energies below the excitation threshold of core electrons. The effect of spin-orbit interaction, importance of accounting for core polarization, and convergence of the cross sections have been investigated.
Highlights
A fully quantum mechanical approach to photon-atom scattering processes has been well understood since the mid 1920’s with the development of the Kramers–Heisenberg–Waller (KHW)matrix elements [1,2]
We have extended two computational methods for calculating cross sections for photon scattering processes on hydrogen to qausi one-electron systems
The more computationally efficient complex scaling (CS) method was used in order to calculate Rayleigh and Raman cross sections for a large number of transitions in alkali atoms from lithium to cesium
Summary
A fully quantum mechanical approach to photon-atom scattering processes has been well understood since the mid 1920’s with the development of the Kramers–Heisenberg–Waller (KHW)matrix elements [1,2]. The main difficulties that arise when calculating KHW matrix elements are related to the inclusion of the contribution from the continuum spectrum of the target and accounting for the pole terms that appear for incident photon energies that are above the ionization threshold. An alternative approach that avoids a direct evaluation of the pole terms and infinite summations over intermediate states was developed by Dalgarno and Lewis [11]. Delserieys et al [13] calculated Rayleigh and Raman scattering from the 3s3p 3 PJ metastable states of magnesium by including a few low-lying intermediate bound states. Drühl [14] considered anti-Stokes Raman scattering on atomic iodine for small incident photon energies, where the infinite summation over intermediate states was approximated while using sum rules. Grunefeld [15] used complex polarizabilties and hyperpolarizabilties to calculate Rayleigh and
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