The HD molecule has been treated by perturbation theory using the complete nonrelativistic fourhyphen;particle Hamiltonian. In the zeroth order the calculations have been carried out with a 147hyphen;term variational wavefunction. The resulting energies and expectation values of several operators for the ground state and for the first vibrationally excited state are reported. The computed groundhyphen;state dissociation energy,D0, is by 1.9 cmminus;1larger than the experimental value. By treating the mass difference of the nuclei as the perturbation parameter, a 103hyphen;term correction function was computed which yields the secondhyphen;order correction to the energyE(2)=minus;0.04664 cmminus;1, and the dipole moment of the molecule mgr;=1.54 10minus;3D.
展开▼
