Stability of Two-Electron Diatomic Molecules

ALEJANDRO FERRÓN, PABLO SERRA

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

IOP PUBLISHING

Año: 2007 vol. 40 p. 995 - 1002

0953-4075

We present a detailed study of the ground state behaviour of two-electrondiatomic molecules. The ground state stability diagram for diatomic moleculesin the Born–Oppenheimer approximation is obtained and the behaviour of theground state near the stability line is studied. Two different cases are analysed:the homonuclear two-centre two-electron molecule with the internucleardistance as a free parameter and the diatomic two-electron molecule (inthis case, the internuclear distance is determined by equilibrium conditions).Analytical and numerical results for these systems are presented.