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首页> 外文期刊>The Journal of Chemical Physics >Properties of the path-integral quantum hard-sphere fluid in k space
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Properties of the path-integral quantum hard-sphere fluid in k space

机译:k空间中路径积分量子硬球流体的性质

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The properties of quantum fluids in Fourier space, as the system response functions to weak external fields, are analyzed taking the quantum hard-sphere fluids as a probe. This serves to clarify the physical meaning of the different radial correlation functions that can be defined in a path-integral quantum fluid, since these functions are the r-space counterparts of the response functions. The basic feature of the external field relevant to this discussion is connected with its localizingonlocalizing effect on the quantum particles composing the fluid (i.e., a localizing field causes the collapse of the particle thermal packet). Fields that localize the quantum particles reveal the so-called instantaneous quantities (e.g., the conventional static structure factor), which are related with the diagonal elements of the density matrix. Fields that do not localize the quantum particles show the so-called linear response quantities, which are related to the diagonal and the off-diagonal density matrix elements. To perform this study the path-integral formlism is considered from the functional analysis approach. Given that the Gaussian Feynman-Hibbs effective potential picture is known to represent well many structural features of the quantum hard-sphere fluid, the parallel study of the response functions within this picture is also presented. In particular, the latter picture provides an accurate Ornstein-Zernike scheme that can be used for numerical calculations of response functions over a wide range of conditions, and also gives fine estimates for quantities difficult to compute with the path integral. Results for the quantum hard-sphere fluid obtained within the latter scheme are reported, tests of consistency are given, and the possibility of approximating the instantaneous response function by means of the coherent part of the linear response function is assessed.
机译:以量子硬球流体为探针,分析了傅里叶空间中量子流体的性质,即系统对弱外部场的响应函数。这用于阐明可以在路径积分量子流体中定义的不同径向相关函数的物理含义,因为这些函数是响应函数的r空间对应物。与该讨论有关的外场的基本特征与其对组成流体的量子粒子的定位/非定位作用有关(即,定位场导致粒子热包塌陷)。使量子粒子局部化的场揭示了所谓的瞬时量(例如,常规的静态结构因子),其与密度矩阵的对角元素有关。未使量子粒子局域化的场显示出所谓的线性响应量,其与对角线和非对角线密度矩阵元素有关。为了进行这项研究,从功能分析方法考虑了路径积分形式。鉴于已知高斯Feynman-Hibbs有效势能图代表了量子硬球流体的许多结构特征,因此还提出了对该图内响应函数的并行研究。特别是,后一幅图片提供了一种精确的Ornstein-Zernike方案,该方案可用于在宽范围的条件下进行响应函数的数值计算,并且还可以对路径积分难以计算的数量给出精确的估计。报告了在后一种方案中获得的量子硬球流体的结果,给出了一致性测试,并评估了通过线性响应函数的相干部分逼近瞬时响应函数的可能性。

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