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Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature

机译:振动玻色子采样:有限温度下分子振动光谱的广义高斯玻色子采样

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摘要

Molecular vibroic spectroscopy, where the transitions involve non-trivial Bosonic correlation due to the Duschinsky Rotation, is strongly believed to be in a similar complexity class as Boson Sampling. At finite temperature, the problem is represented as a Boson Sampling experiment with correlated Gaussian input states. This molecular problem with temperature effect is intimately related to the various versions of Boson Sampling sharing the similar computational complexity. Here we provide a full description to this relation in the context of Gaussian Boson Sampling. We find a hierarchical structure, which illustrates the relationship among various Boson Sampling schemes. Specifically, we show that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance of Gaussian Boson Sampling without initial correlation, with only a polynomial overhead. Since every Gaussian state is associated with a thermal state, our result implies that every sampling problem in molecular vibronic transitions, at any temperature, can be simulated by Gaussian Boson Sampling associated with a product of vacuum modes. We refer such a generalized Gaussian Boson Sampling motivated by the molecular sampling problem as Vibronic Boson Sampling.
机译:分子振动光谱学中,由于Duschinsky旋转,跃迁涉及非平凡的Bosonic相关性,因此被认为与Boson采样具有相似的复杂性。在有限温度下,该问题表示为具有相关高斯输入状态的玻色子采样实验。具有温度效应的分子问题与具有相似计算复杂性的各种版本的玻色子采样密切相关。在这里,我们在高斯玻色子抽样的背景下对此关系提供了完整的描述。我们发现了一个层次结构,该结构说明了各种玻色子采样方案之间的关系。具体来说,我们表明,具有初始相关性的高斯玻色子采样的每个实例都可以由没有初始相关性的高斯玻色子采样实例进行模拟,而只有多项式开销。由于每个高斯态都与一个热态相关,因此我们的结果表明,在任何温度下,分子振子跃迁中的每个采样问题都可以通过与真空模式乘积相关联的高斯玻色子采样来模拟。我们将受分子采样问题启发的广义高斯玻色子采样称为振动玻色子玻色子采样。

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