Calculation of radial electron-electron distribution function and expectation values for li-atom in excited states 1s 2p, 1s 3p and 1s 3d

Abstract EN

The electron correlation for inter-shells (1s 2p), (1s 3p) and (1s 3d) was described by the inter-particle radial distribution function f(r12).

It was evaluated for Li-atom in the different excited states (1s2 2p), (1s2 3p) and (1s2 3d) using Hartree- Fock approximation (HF).

The inter particle expectation values n r12 for these shells were also evaluated.

The calculations were performed using Mathcad 14 program.