Proof of Two Conjectures of Mulliken Concerning the Electronic Energy of Diatomic Molecules for SmallR

摘要

This paper deals with the coefficientE2in theRexpansion of the electronic energy of diatomic molecules for the manifold of molecular states (characterized by the quantum numberLgr;orOHgr;) originating from a given state of the united atom. Explicit expressions forE2lpar;Lgr;rpar;andE2lpar;OHgr;rpar;are derived, which generalize two conjectures of Mulliken concerning theLgr;(orOHgr;) dependence ofE2. As an example, the six lowest states of the BH molecule, which originate from the three lowest states of the carbon atom, are treated numerically.