Applications of the generator coordinate approximation to diatomic systems. II. Dunham analysis of vibration–rotation spectra
Luc Lathouwers, Piet Van Leuven, Erik Deumens, Yngve Öhrn
Abstract
Luc Lathouwers, Piet Van Leuven, Erik Deumens, Yngve Öhrn
Abstract
It is shown how a Dunham series can be derived within the generator coordinate approximation. General kernel expansions are combined with order by order angular momentum projection and generator coordinate perturbation theory. The comparison of Born–Oppenheimer and generator coordinate kernal coefficients yields a clear identification of nonadiabatic effects incorporated in the generator coordinate approximation.
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It is shown how a Dunham series can be derived within the generator coordinate approximation. General kernel expansions are combined with order by order angular momentum projection and generator coordinate perturbation theory. The comparison of Born–Oppenheimer and generator coordinate kernal coefficients yields a clear identification of nonadiabatic effects incorporated in the generator coordinate approximation.
Key concepts: Coordinate system, Generator (circuit theory), Diatomic molecule, Physics, Angular momentum, Rotation (mathematics), Cartesian coordinate system, Perturbation theory (quantum mechanics)