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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 87, 1996 - Issue 3
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Original Articles

Quantum transport, recurrence and localization in H+3

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Pages 651-667 | Received 11 Aug 1995, Accepted 06 Oct 1995, Published online: 22 Aug 2006
 

Abstract

An automatic quantum-based method to find and extract the relevant localizations of a dynamical system is presented and applied to three-dimensional H+ 3 vibrational calculations. The method exploits the relationship between expressions in the time domain and the energy domain, extracting from groups of eigenstates the localization information related to short term structures in the dynamics. Several localizations are found and extracted. Special emphasis is placed on bending and dissociating motions.

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