Monte Carlo optimisation of correlated wave functions for normal two-electron systems

A simple, new type of correlated wave function is proposed for the studies of normal two-electron atomic systems: ψ(r₁, r₂) = Σc_mΦ_m(r₁, r₂) with Φ_m(r₁, r₂) = exp−(r₁ + r₂)]/(br₁₂ + a)^m, where , a, b are non-linear variational parameters. A notable feature of this basis function is that only three terms are required within the framework of the Raleigh-Ritz variational principle to obtain fairly accurate energy eigenvalues and satisfactory cusp conditions. The non-linear variational parameters are optimised by using the Monte Carlo technique.