Calculation of the electric dipole moment of some diatomic molecule hydrides

Abstract

The electric dipole moments for six diatomic molecule hydrides LiH, BH, AlH, FH, ClH and NaH have been calculated using functions built from the molecular Hartree-Fock function plus about 200 singly and doubly substituted configurations. The same procedure proved to be quantitatively accurate for CO. In three of the six molecules the electric dipole moment has been measured and the agreement between calculated and observed moments is good.