Theoretic Studies On The Potential Energy Curves Of Some Hydride Diatomic Molecules

There are four parts in this dissertation. Part one briefly introduces several physical methods used to study diatomic molecular potentials: the quantum mechanical ab initio method, the Rydbery-Klein-Rees(RKR) method, the Inverted Perturbation Approach(IPA),and the analytical potential function method. Part two introduces the energy consistent method (ECM) which will be used in this dissertation. In part three and four, the potential energy curves of 16 electronic states of some hydride diatomic molecules are studied by using the energy consistent method. Comparisons of ECM potentials with widely used Morse and Huxley-Murrell-Sorbie(HMS) potentials show that the ECM potentials are in excellent agreement with the experimental based RKR data, the IPA data, and the Configuration Interaction(CI) potentials, and that the ECM can obtain reliable potential energies for hydride molecules in the molecular asymptotic and dissociation region where it may be difficult to have correct potential data experimentally or quantum mechanically.