Hyperspherical approach to three-electron atomic systems

Abstract

The hyperspherical coordinates approach to three-electron atomic systems is further refined by taking into account the symmetry of the electrons analytically. Spins are treated explicitly for both doublet and quartet cases to reduce the three-electron Schrodinger equation to a set of coupled two-dimensional partial differential equations in a compact, symmetric form ready for numerical calculations. It is shown that the resulting equations can be accurately solved using B splines. By adopting the adiabatic approximation, the hyperspherical potential curves for singly, doubly, and triply excited states for the P-2(o) symmetry of Li are obtained.