Holomorphic Hartree-Fock Theory and Configuration Interaction

We investigate the HartreeFock solutions to H-2 in a minimal basis. We note the properties of the solutions and their disappearance with geometry and propose a new method, called Holomorphic HartreeFock theory, where we modify the self-consistent field (SCF) equations to avoid disappearance of the solutions. We use these solutions as a basis for a nonorthogonal configuration interaction to produce a smooth binding curve over a complete range of geometries.