Diabatic correlation diagrams for the quasi-molecular description of ion-atom collisions

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Abstract
A method for calculating the correlation diagrams of many-electron systems is considered, based on the exact solution of the two-centre problem with an effective parametric potential, taking into account the electron screening of the nuclei in the quasi-molecule and allowing for the separation of the variables in the Schrodinger equation, in prolate spheroidal coordinates. The effective potential parameters have been determined from the condition of exact agreement with the known atomic values of the given molecular orbital (MO) energy at R=0 and R= infinity . The values of the MO energies Ee(R) have been determined by numerically solving the Sturm-Liouville system of equations, whose separation constants A(R) and Ee(R) at small R were obtained in the quasi-classical approximation. The correlation diagram has been computed for the terms of the He2+-He system, and a comparison for some of the terms with the best available calculations has been made. The results of MO calculations for the Kr+-Kr system have also been compared with the experimental data from quasi-molecular Auger spectra. The latest works on correlation diagram computations are discussed.