Exact treatment of reactive scattering in the Torres-Vega-Frederick quantum phase-space representation.
Exact treatment of reactive scattering in the Torres-Vega-Frederick quantum phase-space representation.
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DOI：
10.1103/physreva.52.3780
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发表时间：
1995-11
期刊：
影响因子：
--
通讯作者：
Hu;Li;Tang
中科院分区：
文献类型：
--
作者：
Hu;Li;Tang
我们在Torres-Vega和Frederick的量子力学相空间表示的框架内，从密度算符的观点，用公式表示了原子-双原子分子在相空间中的量子重排散射[J. Chem.Phys.98，3103（1993）; 93，8862（1990）]。这种形式主义有一个显着的特点，它自然包括了对描述实际的散射实验是重要的初始系统的能量壳层相干性。发现描述重排散射的全密度算符不仅与通常的反应跃迁算符T${\martrm {^}}_{\martrm {\ensuremath{\beta}}\martrm {\ensuremath{\alpha}$密切相关，而且还与本文定义的位置矢量非局域的能反映强相互作用区反应散射的某些精细结构的函数F密切相关。本文还讨论了量子相空间表象中的含时反应散射。
We have formulated the quantum rearrangement scattering of atom-diatomic molecules in phase space from the viewpoint of the density operators within the framework of Torres-Vega's and Frederick's phase-space representation of quantum mechanics [J. Chem. Phys. 98, 3103 (1993); 93, 8862 (1990)]. This formalism has a remarkable feature in that it naturally includes the on-the-energy-shell coherences of the initial system that are important for depicting actual scattering experiments. We have found that the full density operator describing the rearrangement scattering is closely related not only to the usual reactive transition operator T${\mathrm{^}}_{\mathrm{\ensuremath{\beta}}\mathrm{\ensuremath{\alpha}}}$, but also to the function F defined in the paper which is nonlocal in position vector and could reflect some fine structures of the reactive scattering in strong interaction region. The time-dependent reactive scattering in the quantum phase-space representation is also discussed.