QUANTUM THEORY OF FOUR-ATOM REACTIONS USING ARRANGEMENT CHANNEL HYPERSPHERICAL COORDINATES - FORMULATION AND APPLICATION TO OH+H-2[--]H2O+H

Pogrebnya SK.; Clary DC.; Echave J.

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QUANTUM THEORY OF FOUR-ATOM REACTIONS USING ARRANGEMENT CHANNEL HYPERSPHERICAL COORDINATES - FORMULATION AND APPLICATION TO OH+H-2[--]H2O+H

机译：排列通道超球坐标的四原子反应的量子理论—配制并应用于OH + H-2 [-] H2O + H

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An arrangement channel hyperspherical coordinate method for performing quantum scattering calculations on four-atom reactions is formulated. This method treats the vibrational and rotational states in different arrangement channels by a close-coupling expansion in nonorthogonal functions. The method is applied to the calculation of state-to-state probabilities for the OH+H-2-->H2O divided by H reaction. Good agreement is found with cumulative and state-selected reaction probabilities previously calculated by other methods. The major advantage of this general approach is that the whole S matrix can be obtained in a single calculation. (C) 1997 American Institute of Physics. [References: 63]

机译：提出了一种对四原子反应进行量子散射计算的排列通道超球坐标方法。该方法通过非正交函数中的紧密耦合展开来处理不同排列通道中的振动和旋转状态。该方法适用于OH + H-2-> H2O除以H反应的状态概率。发现与先前通过其他方法计算的累积和状态选择的反应概率有很好的一致性。这种通用方法的主要优点是可以通过一次计算获得整个S矩阵。（C）1997美国物理研究所。 [参考：63]

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《The Journal of Chemical Physics》 |1997年第21期|共10页
作者
Pogrebnya SK.; Clary DC.; Echave J.;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词
Potential-energy surfaces; Scattering calculations; Reaction probabilities; Photodetachment spectrum; Mechanical calculation; H+h2o-gt; h-2+oh reaction; Dimensional quantum; Coupled equations; 4-atom reactions; Cross-sections;

机译：势能面;散射计算;反应概率;光解谱;力学计算;H + h2o- h-2 + oh反应;尺寸量子;耦合方程;4-原子反应;截面;

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1. QUANTUM THEORY OF FOUR-ATOM REACTIONS USING ARRANGEMENT CHANNEL HYPERSPHERICAL COORDINATES - FORMULATION AND APPLICATION TO OH+H-2[--]H2O+H [J] . Pogrebnya SK., Clary DC., Echave J. The Journal of Chemical Physics . 1997,第21期

机译：排列通道超球坐标的四原子反应的量子理论—配制并应用于OH + H-2 [-] H2O + H
2. On the geometric phase effect on tetra-atomic reactions: the OH+H-2 -> H2O+H reaction [J] . Billing GD., Kuppermann A. Chemical Physics Letters . 1998,第1a3期

机译：关于几何原子对四原子反应的影响：OH + H-2-> H2O + H反应
3. Quantum stereodynamics of four-atom reactions: theory and application to H_2 + OH reversible H_2O + H [J] . Miranda Marcelo P. de Faraday discussions . 1999,第113期

机译：四原子反应的量子立体动力学：H_2 + OH可逆H_2O + H的理论及应用
4. Application of the noncommutative theory of statistical decisions to the modeling of quantum communication channels [C] . A.V. Zorin, A.L. Sevastianov, L.A. Sevastianov International Congress on Ultra Modern Telecommunications and Control Systems and Workshops . 2017

机译：统计决策的非对易理论在量子通信通道建模中的应用
5. Time-dependent quantum reactive scattering in hyperspherical coordinates. [D] . Crawford, Jeffrey James. 2013

机译：超球坐标系中与时间有关的量子反应性散射。
6. Non-Markovianity and reservoir memory of quantum channels: a quantum information theory perspective [O] . B. Bylicka, D. Chruściński, S. Maniscalco -1

机译：量子通道的非马尔可夫性和储层记忆：量子信息论的视角
7. Asymptotic analysis of state-to-state tetraatomic reactions using row-orthonormal hyperspherical coordinates [O] . Museth Ken, Kuppermann Aron 2001

机译：使用行正交正交超球坐标的状态间四原子反应的渐近分析
8. Quantum Mechanical Coupled-Channel Collision-Induced Dissociation Calculations with Hyperspherical Coordinates [R] . Kaye, J. A., Kuppermann, A. 1980

机译：超球面坐标下的量子力学耦合通道碰撞诱导解离计算

QUANTUM THEORY OF FOUR-ATOM REACTIONS USING ARRANGEMENT CHANNEL HYPERSPHERICAL COORDINATES - FORMULATION AND APPLICATION TO OH+H-2[--]H2O+H

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