Primitive semiclassical quantization of H${}_2^{+}$ and D${}_2^{+}$ without the restriction of the separation of electronic and nuclear motions, reveals the existence of a small (10%) classical contribution to the one-electron chemical bond. It is found that in the electronic ground state the electron is exchanged classically between the two nuclei and that this exchange is correlated with the molecular vibration.

• Received 18 August 1997

DOI:https://doi.org/10.1103/PhysRevA.57.906