Astrophysical molecules of AlH and CaH: RKR potential and dissociation energies

The true potential energy curves for the electronic ground states of astrophysically important AlH and CaH molecules are constructed by the Rydberg-Klein-Rees method. Empirical potential functions, of three-parameters by Lippincott, of five-parameters by Hulburt and Hirsch-felder and, of electronegativity by Szöke and Baitz, are examined for the adequacy to represent the true curve. From the best-fitting function, the dissociation energies D00 of AlH and CaH molecules are estimated to be 2.99 ± 0.08 and 2.72 ± 0.06 eV respectively. The force constants indicate that these values are of correct magnitude. © 1983 Indian Academy of Sciences