MAGNETIC SCREENING OF NUCLEI BY ELECTRONS AS AN EFFECT OF GEOMETRIC VECTOR POTENTIAL

Authors
Citation
L. Yin et Ca. Mead, MAGNETIC SCREENING OF NUCLEI BY ELECTRONS AS AN EFFECT OF GEOMETRIC VECTOR POTENTIAL, The Journal of chemical physics, 100(11), 1994, pp. 8125-8131
Citations number
14
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
100
Issue
11
Year of publication
1994
Pages
8125 - 8131
Database
ISI
SICI code
0021-9606(1994)100:11<8125:MSONBE>2.0.ZU;2-A
Abstract
It is known that the usual Born-Oppenheimer procedure,when applied to a molecular system in an external magnetic field, leads to an effectiv e 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. Elab orating on previous work, by others as well as ourselves, we discuss h ow this situation can be remedied by including the effect of the geome tric phase and geometric vector potential. In particular, it is shown that inclusion of the geometric vector potential leads to results in a ccord with intuition and semiclassical calculations in simple cases, a nd that for all cases it provides a consistent Born-Oppenheimer-type f ormulation, free of obvious defects, for a molecular systemin an exter nal magnetic field.