The molecular orbital theory of chemical valency IX. The interaction of paired electrons in chemical bonds

摘要: In previous parts of this series the molecular orbital theory has been developed in a way which, while dealing satisfactorily with interaction electrons different orbitals, is not adequate to describe wave two paired same orbital. This paper an attempt improve part theory. Most work restricted problem bond homonuclear diatomic molecule. The method based on expansions function and interelectronic repulsion term Hamiltonian over irreducible representations symmetry group. A coupled equations are obtained for terms wave-function expansion. These exact form useful background against which examine some approximate functions, including simple electron-pair function. Some calculations hydrogen molecule indicate that inclusion higher expansion substantially reduces calculated electron energy.