Performance of higher order Monte Carlo wave packet methods for surface science problems: A test for photoinduced desorption |
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| Institution: | 1. Instituto de Química, Facultad de Ciencias, Pontificia Universidad Católica de Valparaíso, Valparaíso, Chile;2. Departamento de Química, Universidad Técnica Federico Santa María, Valparaíso, Chile;3. Instituto de Investigación y Postgrado, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile |
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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(1 1 1) 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. |
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