ATOM-MOLECULE VAN-DER-WAALS COMPLEXES CONTAINING OPEN-SHELL ATOMS .1.GENERAL-THEORY AND BENDING LEVELS

The theory needed to carry out calculations on atom-molecule van der W aals complexes containing open-shell atoms is developed. The discussio n concentrates on complexes containing atoms in P states. Several poss ible expansions of the total wave function are described, and the matr ix elements needed to construct the Hamiltonian matrix are set out. Se veral different angular momentum coupling cases may arise, analogous t o Hund's coupling cases in diatomic molecules. The bending energy leve ls of Ca-HCl, B-H-2, F-H-2, Cl-Cl-2, and F-N-2 are calculated, using s imple models of the interaction potentials.