Stability of two-electron diatomic molecules

ALEJANDRO FERRÓN; PABLO SERRA

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

IOP PUBLISHING LTD

Año: 2007 vol. 40 p. 995 - 1002

0953-4075

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