Abstract

Approximate analytical self-consistent field wavefunctions were calculated for the ground state and for certain excited states of the laser-active ion Nd3 +. The following states of the 4f3 configuration of Nd3 + were covered by our calculations: S4,D4,F4,G4,, and I4. For the purpose of this work we combined the minimum and the saturated basis set approximations. All the orbital exponents were accurately optimized. The d orbitals, and particularly the 4f orbital, were calculated unusually accurately. Except the optically unaffected orbitals 1s, 2s, and 2p, all the orbitals of the s, p, d, and f symmetries exhibited zero deviation (to five decimals) from the tail nodal extinction. The virial theorem was always satisfied to at least five significant figures.

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.