Gaussian weighting in the quasiclassical trajectory method

Bonnet L; Rayez JC

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Gaussian weighting in the quasiclassical trajectory method

机译：准经典轨迹法中的高斯加权

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摘要

In standard quasiclassical trajectory calculations, each trajectory has the same statistical weight. Alternately, the Gaussian weighting method is an ad hoc procedure which consists in weighting each trajectory by a Gaussian-like coefficient such that the closer the final actions to integer values, the larger the coefficient. The goal of the present note is to justify such a method in the framework of classical S matrix theory. (C) 2004 Elsevier B.V. All rights reserved.

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《Chemical Physics Letters》 |2004年第3期|共4页
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Bonnet L; Rayez JC;
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正文语种 eng
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DYNAMICS;

机译：动力学;

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专利

1. Gaussian weighting in the quasiclassical trajectory method [J] . Bonnet L, Rayez JC Chemical Physics Letters . 2004,第1a3期

机译：准经典轨迹法中的高斯加权
2. A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations [J] . Nagy Tibor, Vikar Anna, Lendvay Gyoergy Physical chemistry chemical physics: PCCP . 2018,第19期

机译：二维反应动力学计算的拟痉挛轨迹方法的一般性制剂
3. State-specific dissociation in O-2-O-2 collisions by quasiclassical trajectory method [J] . Andrienko Daniil A., Boyd Iain D. Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature . 2017,第期

机译：通过拟CSICALLICACE轨迹法在O-2-O-2碰撞中的状态特异性解离
4. Analysis of Dissociation and Internal Energy Transfer in High Energy N_2 + O_2 Collisions Using the Quasiclassical Trajectory Method [C] . Ross S. Chaudhry, Jason D. Bender, Paolo Valentini, AIAA aviation forum;AIAA thermophysics conference . 2016

机译：准经典轨迹法分析高能N_2 + O_2碰撞中的离解和内能传递
5. Quasiclassical trajectory study of D+HH and H+HD. [D] . McNamara, Glen J. 2011

机译：D + HH和H + HD的准经典轨迹研究。
6. Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms [O] . Jianwei Cao, Zhijun Zhang, Chunfang Zhang, 2009

机译：H + SiH4反应的全尺度准经典轨迹研究揭示了原子级机理
7. Erratum: >A comparative study of the Si+O2\SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods> [J. Chem. Phys. 128, 174307 (2008)] [O] . Dayou, F., Larregaray, Pascal, Bonnet, L., 2014

机译：勘误表：>基于准经典轨迹和基于统计的方法对Si + O2 \ SiO + O反应动力学的比较研究> [J.化学物理128，174307（2008）]
8. Gaussian elimination methods for calculating classical periodic trajectories in two dimensions. [R] . K. T. R. Davies 1991

机译：用于计算二维经典周期轨迹的高斯消元法。

Gaussian weighting in the quasiclassical trajectory method

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