T. Detmer et al., ROTATION-VIBRATION HAMILTONIAN FOR NEUTRAL DIATOMIC-MOLECULES IN MAGNETIC-FIELDS - DYNAMICAL SCREENING OF NUCLEI, Journal of physics. B, Atomic molecular and optical physics, 28(14), 1995, pp. 2903-2913
The rotation-vibration Hamiltonian for a neutral diatomic molecule in
an external magnetic field is established by appropriately transformin
g the pseudoseparated Hamiltonian to the molecular fixed frame. The pa
rtially screened Born-Oppenheimer approximation is subsequently perfor
med. By explicitly investigating the dissociation limit of the molecul
e into neutral atoms we are able to identify the motional screening op
erator which is responsible for the screening of the nuclei by the ele
ctrons against: the magnetic field. A connection between the screening
operator and the magnetic flux enclosed by the motion of the nuclei i
s established.