%0 Journal Article
%T Holomorphic Hartree-Fock Theory and Configuration Interaction
%A Hamish G. Hiscock
%A Alex J. W. Thom
%J Physics
%D 2014
%I arXiv
%R 10.1021/ct5007696
%X We investigate the Hartree-Fock solutions to H2 in a minimal basis. We note the properties of the solutions and their disappearance with geometry and propose a new method, Holomorphic Hartree-Fock theory, where we modify the SCF equations to avoid disappearance of the solutions. We use these solutions as a basis for a non-orthogonal Configuration Interaction to produce a smooth binding curve over a complete range of geometries.
%U http://arxiv.org/abs/1406.2457v1