%0 Journal Article
%A
%A
%T Exact formula for the dipole moment of a one-electron diatomic molecule
%D 1985
%R 10.1098/rspa.1985.0104
%J Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences
%P 373-392
%V 401
%N 1821
%X It is shown that the dipole moment function, μ(R, Za, Zb), for an arbitrary bound electronic state of a one-electron diatomic molecule, with inter-nuclear distance R and atomic numbers Za, Zb may be expressed exactly in terms of the separation eigenconstant C and the electronic energy eigenvalue W of the Schrödinger equation by means of the Hellmann-Feynman theorem and a new recursion relation. The formula is used to investigate the behaviour of μ in the vicinity of the united atom and when the nuclei are far apart. The generalization required to extend the relation to other expectation values is derived in an appendix.
%U http://rspa.royalsocietypublishing.org/content/royprsa/401/1821/373.full.pdf