Magnetic screening of nuclei by electrons as an effect of geometric vector potential

Yin, Li; Alden Mead, C.
June 1994
Journal of Chemical Physics;6/1/1994, Vol. 100 Issue 11, p8125
Academic Journal
It is known that the usual Born–Oppenheimer procedure, when applied to a molecular system in an external magnetic field, leads to an effective nuclear Hamiltonian in which the magnetic field acts on bare nuclei, so that, for instance, a neutral atom or molecule would be deflected in such a field as if the nuclei were the only charged particles. Elaborating on previous work, by others as well as ourselves, we discuss how this situation can be remedied by including the effect of the geometric phase and geometric vector potential. In particular, it is shown that inclusion of the geometric vector potential leads to results in accord with intuition and semiclassical calculations in simple cases, and that for all cases it provides a consistent Born–Oppenheimer-type formulation, free of obvious defects, for a molecular system in an external magnetic field.


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