Unified theory of bound and scattering molecular Rydberg states as quantum maps

Details Unified theory of bound and scattering molecular Rydberg states as quantum maps Unified theory of bound and scattering molecular Rydberg states as quantum maps

2004-02-17

arxiv.org/abs/physics/0402077v1

Annals of Physics vol. 312(2) p. 441-479 (Aug. 2004)

Physics

Chemical Physics

Scientific paper

10.1016/j.aop.2004.03.004

Using a representation of multichannel quantum defect theory in terms of a quantum Poincar\'e map for bound Rydberg molecules, we apply Jung's scattering map to derive a generalized quantum map, that includes the continuum. We show, that this representation not only simplifies the understanding of the method, but moreover produces considerable numerical advantages. Finally we show under what circumstances the usual semi-classical approximations yield satisfactory results. In particular we see that singularities that cause problems in semi-classics are irrelevant to the quantum map.

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