INVESTIGADORES
FERRON Alejandro
congresos y reuniones científicas
Título:
Study of the stability of two electron diatomic molecules
Autor/es:
ALEJANDRO FERRÓN; PABLO SERRA
Lugar:
Buenos Aires, Argentina
Reunión:
Workshop; Clusters, Molecules, Biomolecules and Materials (Giambiagi Parte A); 2006
Resumen:
In this work we present a study of the near threshold behaviorof two electron diatomic molecules. We obtain the ground state stability diagram for 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 two electron 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.