Generalized hybrid orbital (GHO) method for combining ab initio hartree-fock wave functions with molecular mechanics

The generalized hybrid orbital (GHO) method provides a way to combine quantum mechanical (QM) and molecular mechanical (MM) calculations on a single molecular system or supramolecular assembly. The GHO method is extended to the ab initio Hartree-Fock (HF) level (GHO-AIHF).