Study of the stability of two electron diatomic molecules

ALEJANDRO FERRÓN; PABLO SERRA

Santos

Conferencia; 18th International IUPAP Conference on Few-Body Problems in Physics (fb18); 2006

IUPAP

In this work we present a study of the near threshold behaviorof two electron diatomic molecules. We obtain the ground state stabilitydiagram for \mbox{hydrogenic-like}  molecules in the Born-Oppenheimmerapproximation and some important properties of the system nearthe stability line.Analytical and Numerical results for this system are presented.For numerical computations we use the Rayleigh-Ritz variational method.Matrix elements are calculated using a new  treatment of twoelectron integrals over two centre including correlation(interelectronic distance) explicitly in the wave function [1].All the integrals needed for the evaluation of the matrixelements for the Hamiltonian of diatomic two electron moleculesare obtained as analytic recursion expressions.A  finite size scaling approach [2] is applied in order to analyzethe critical (near-threshold)  behavior of the ground state asa function of  the nuclear charges and the internuclear distance.