Abstract

A series of high-level correlated (many-body-perturbation-theory and coupled-cluster) calculations on the dipole polarizability of Ca, Sr, and Ba has been carried out. The relativistic effects have been incorporated in calculations at both the Hartree-Fock and correlated levels of approximation. Calculated values of the dipole polarizability of Ca, Sr, and Ba are 152, 190, and 273 a.u., respectively, and in agreement with experimental data from electric-deflection measurements. The relativistic effect on the dipole polarizability is very small (-2 a.u.) for Ca, amounts to about -11 a.u. for Sr, and becomes comparable with the electron-correlation contribution for Ba (-37 a.u.). An optimized Gaussian basis set has been generated for Ba, the details of which are included in the paper.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.