Hydrogen Dissociation in Generalized Hartree-Fock Theory: Breaking the diatomic bond*

Generalized Hartree Fock theory predicts molecular Hydrogen dissociation without correlation. A variational Gaussian-Sinc linear superposition is the basis of 50 calculations with 3-4 significant digits of quality. The spin singlet covalent bond spontaneously breaks into a pair of uncorrelated doublets at atomic separation of 1.22 Angstroms. Quantum spin numbers and energetic comparison with Configuration Interaction theory---correlation---point to a first order phase transition in the molecular Hydrogen bond without correlation.