Removal of Electron—Electron Poles from Many-Electron Hamiltonians

Abstract

In many‐electron problems, the Hamiltonian has poles 1/r_ij which produce difficulties in the solution of the Schrödinger equation HΨ = EΨ. If Ψ is taken to be φ_χ where $$\mathrm{\phi =}{\displaystyle \prod _{\mathrm{i>j}}}\text{[1+}\frac{1}{2}{r}_{\mathrm{ij}}\exp {\mathrm{(-\alpha r}}_{\mathrm{ij}}\mathrm{)],}$$ it is found that χ satisfies the new Schrödinger equation H′_χ=E_χ where the new Hamiltonian H′ has no electron—electron poles.