Approximate Analytical Wavefunctions for Certain States of Nd3 +

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.