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Intermolecular dynamics of highly excited DCO (X^2A') is studied from aclassical-quantum perspective using the effective spectroscopic Hamiltonianproposed recently by Trollch and Temps (Z. Phy. Chem. 215, 207 (2001)). Thiswork focuses on the polyads P = 3 and P = 4 corresponding to excitationenergies E_v ~ 5100 cm^-1 and 7000 cm^-1 respectively. The majority of statesbelonging to these polyads are dynamically assigned, despite extensivestochasticity in the classical phase space, using the recently proposedtechnique of level velocities. A wavelet based time-frequency analysis is usedto reveal the nature of phase space transport and the relevant dynamicalbottlenecks. The local frequency analysis clearly illustrates the existence ofmode-specific IVR dynamics i.e., differing nature of the IVR dynamics ensuingfrom CO stretch and the DCO bend bright states. In addition the role of theweak Fermi resonance involving the CO stretch and DCO bend modes isinvestigated. A key feature of the present work is that the techniques utilizedfor the analysis i.e., parametric variations and local frequency analysis arenot limited by the dimensionality of the system. This study, thus, explores thepotential for understanding IVR in large molecules from both time domain andfrequency domain perspectives.Comment: 15 pages, 8 low resolution figures (including 2 color figures).  submitted to PCC

physical chemistry chemical physics/pccp. physical chemistry chemical physics

Intramolecular vibrational energy redistribution in DCO (X̃<sup>2</sup>A′): Classical-quantum correspondence, dynamical assignments of highly excited states, and phase space transport

Intramolecular vibrational energy redistribution in DCO (X̃2A′): Classical-quantum correspondence, dynamical assignments of highly excited states, and phase space transport

Intramolecular vibrational energy redistribution in DCO (X̃²A′): Classical-quantum correspondence, dynamical assignments of highly excited states, and phase space transport