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タイトル: Mixed quantal-semiquantal dynamics with stochastic particles for backreaction.
著者: Ando, Koji
著者名の別形: 安藤, 耕司
発行日: 14-Oct-2014
出版者: American Institute of Physics Inc.
誌名: The Journal of chemical physics
巻: 141
号: 14
論文番号: 144106
抄録: A mixed quantal-semiquantal theory is presented in which the semiquantal squeezed-state wave packet describes the heavy degrees of freedom. Starting from the mean-field equations of motion that are naturally derived from the time-dependent variational principle, we introduce the stochastic particle description for both the quantal and semiquantal parts in an aim to take into account the interparticle correlation, in particular the "quantum backreaction" beyond the mean-field approximation. A numerical application on a model of O2 scattering from a Pt surface demonstrates that the proposed scheme gives correct asymptotic behavior of the scattering probability, with improvement over the mixed quantum-classical scheme with Bohmian particles, which is comprehended by comparing the Bohmian and the stochastic trajectories.
著作権等: Copyright 2014 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics
URI: http://hdl.handle.net/2433/191227
DOI(出版社版): 10.1063/1.4897532
PubMed ID: 25318714
出現コレクション:学術雑誌掲載論文等

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