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arXiv 2201.08313nucl-th
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通过特征向量延拓的体积外推

Volume extrapolation via eigenvector continuation

Nuwan Yapa, Sebastian König

摘要:

我们开发了一个扩展的本征向量延拓(EC),使得它可以外推模拟的量子系统在有限的周期性盒在大范围的框大小。这种方法,我们称之为有限体积特征向量延拓(FVEC)的正式理由,提供了在不同的框大小匹配的周期函数。作为具体的FVEC实现,我们使用一个离散变量表示平面波状态的基础上,并提出了几个应用程序计算在这个框架内。

英文摘要:

We develop an extension of eigenvector continuation (EC) that makes it possible to extrapolate simulations of quantum systems in finite periodic boxes across large ranges of box sizes. The formal justification for this approach, which we call finite-volume eigenvector continuation (FVEC), is provided by matching periodic functions at different box sizes. As concrete FVEC implementation we use a discrete variable representation based on plane-wave states and present several applications calculated within this framework.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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