Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach - Archive ouverte HAL
Article Dans Une Revue Chemical Physics Letters Année : 2012

Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach

Résumé

Photoexcitation of NO embedded in rare gas matrices triggers a shock-wave like radial perturbation of the surrounding rare gas atoms. In this Letter, we present quantum dynamical studies of this process, based on a radial shell model. The high-dimensional quantum dynamics is preformed with the multi-configuration time dependent Hartree (MCTDH) method. By comparison with time-dependent Hartree (TDH) results, we study the effects of dynamical correlations. Their inclusion modifies the high-dimensional wavefunction, however, mean values are well described within the TDH ansatz. Finally, pump-probe signals are simulated and shown to lead to small but measurable effects when including the correlations. (C) 2012 Elsevier B.V. All rights reserved

Dates et versions

hal-00935824 , version 1 (24-01-2014)

Identifiants

Citer

L. Uranga-Piña, Christoph Meier, Jesus Rubayo-Soneira. Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach. Chemical Physics Letters, 2012, 543, pp.12-18. ⟨10.1016/j.cplett.2012.05.032⟩. ⟨hal-00935824⟩
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