Extended Hartreendash;Fock Calculations for Li and Lihyphen;like Ions

摘要

An extended Hartreendash;Fock (EHF) calculation is performed for the1s22sground state of Li and Lihyphen;like ions forzvalues from 2 through 9. The EHF wavefunction is a two determinant eigenfunction of S2andSz. The singlehyphen;particle orbitals are found by solving the coupled integrohyphen;differential equations by an iterative numerical integration technique. The results should be the best for the approximate wavefunction used, since the singlehyphen;particle orbitals do not rely on a choice of basis functions. The total energy, ionization energy, and hyperfine splitting are calculated and the results are compared with similar previous calculations.