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Molecular Tomography of the Quantum State by Time-Resolved Electron Diffraction

机译:时间分辨电子衍射对量子态的分子层析成像

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A procedure is described that can be used to reconstruct the quantum state of a molecular ensemble from time-dependent internuclear probability density functions determined by time-resolved electron diffraction. The procedure makes use of established techniques for evaluating the density matrix and the phase-space joint probability density, that is, the Wigner function. A novel expression for describing electron diffraction intensities in terms of the Wigner function is presented. An approximate variant of the method, neglecting the off-diagonal elements of the density matrix, was tested by analyzing gas electron diffraction data for N2in a Boltzmann distribution and TRED data obtained from the 193 nm photodissociation of CS2to carbon monosulfide, CS, at 20, 40, and 120 ns after irradiation. The coherent changes in the nuclear subsystem by time-resolved electron diffraction method determine the fundamental transition from the standard kinetics to the dynamics of the phase trajectory of the molecule and the tomography of molecular quantum state.
机译:描述了一种程序,该程序可用于根据由时间分辨的电子衍射确定的时间相关的核间概率密度函数来重建分子集合体的量子态。该过程利用已建立的技术来评估密度矩阵和相空间联合概率密度,即维格纳函数。提出了一种根据维格纳函数描述电子衍射强度的新颖表达式。通过分析Boltzmann分布中的N2的气体电子衍射数据和从CS2在20°C下从CS2到193 nm光解离获得的TRED数据,测试了该方法的近似变量,忽略了密度矩阵的非对角线元素。照射后40和120 andns。时间分辨电子衍射法在核子系统中的相干变化决定了从标准动力学到分子相轨迹动力学以及分子量子态层析成像的基本转变。

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