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On molecules and ions in strong magnetic fields
Author(s) -
Schmelcher P.,
Cederbaum L. S.
Publication year - 1991
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560400836
Subject(s) - diatomic molecule , hamiltonian (control theory) , magnetic field , adiabatic process , molecule , physics , ion , field (mathematics) , atomic physics , chemistry , quantum mechanics , pure mathematics , mathematical optimization , mathematics
Some of the fundamental theoretical concepts for molecules in homogeneous strong magnetic fields are discussed. First, we perform the pseudoseparation of the center of mass motion for neutral as well as charged systems. The resulting Hamiltonian allows us to investigate the problem of the Born–Oppenheimer adiabatic separation of electronic and nuclear motion in the presence of a magnetic field. In particular, we study the most important differences to the field‐free case. Finally we discuss the symmetry groups for molecules in a magnetic field and investigate the possibilities and effects of the interaction of molecular electronic states through nuclear motion. Even for diatomic molecules severely enhanced nonadiabatic effects may occur in a magnetic field.