Performance of higher order Monte Carlo wave packet methods for surface science problems: A test for photoinduced desorption

Andrianov, I. and Saalfrank, P. (2003) Performance of higher order Monte Carlo wave packet methods for surface science problems: A test for photoinduced desorption. CHEMICAL PHYSICS LETTERS, 367 (3-4). pp. 455-462. ISSN 0009-2614

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Abstract

Aiming to treat multidimensional quantum dissipative dynamics of adsorbates at surfaces, we consider application of several variants of the Monte Carlo wave packet method to an exemplary problem, the desorption induced by electronic transitions (DIET) of NO from a Pt(111) surface with a two-state two-dimensional model. We investigate the convergence of stochastic unravelling schemes of different order for 'rare' observables characteristic for this test system. (C) 2002 Elsevier Science B.V. All rights reserved.

Item Type: Article
Uncontrolled Keywords: ELECTRON-INDUCED DESORPTION; QUANTUM DYNAMICS; PHOTODESORPTION; NO; EQUATIONS; PT(111); OPTICS; METALS; MODEL;
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie
Depositing User: Dr. Gernot Deinzer
Date Deposited: 25 Aug 2021 10:16
Last Modified: 25 Aug 2021 10:16
URI: https://pred.uni-regensburg.de/id/eprint/39363

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