Valence bond diatomics-in-molecules method. II. Application to the valence states of FH2)/sup a/

Explicit methods are given for setting up the matrices involved in the projector approach of the preceding paper to the diatomics-in-molecules (DIM) method for obtaining potential energy surfaces. Application is made to the 14 spin--orbit surfaces of the FH2 system produced from the consideration of only the valence electrons on the atoms and ''ionic--covalent'' coupling in the HF diatomic fragment. This FH2 example contains an illustration of each type of complication one could encounter in the use of the DIM method as a semiempirical technique. Plots of the ground state spin--orbit FH2 surface are given along C/sub infinityv/ ''abstraction'', C/sub 2v/, C/sub s/, and C/sub infinityv/ ''exchange'' cuts, as well as reactant to product correlation energy diagrams produced from vertical cuts along minimum energy pathways of these symmetries. Comparison is made to existing information whenever possible