The Hartree‐Fock‐Heitler‐London Method with Applications to First and Second Row Diatomic Hydrides and Homopolar Molecules

The HF‐HL (Hartree‐Fock—Heitler‐London) method for molecular calculation is reviewed. The original (simple) HF‐HL method is extended to include ionic terms and to take account of the Coulomb hole; all these methods are applied to first and second row hydrides and homopolar molecules. Ground states and some excited states are examined. The results support the conclusion that HF‐HL methods provide realistic molecular binding for ground and excited states, both for single‐bond and for multiple‐bond molecules.