论文标题
通过特征向量延续推出体积
Volume extrapolation via eigenvector continuation
论文作者
论文摘要
我们开发了特征向量延续（EC）的扩展，这使得在有限的周期盒中推断量子系统的模拟在大型盒子尺寸的有限周期盒中。我们称之为有限体积特征向量延续（FVEC）的正式理由是通过匹配不同盒子大小的定期功能提供的。作为具体的FVEC实现，我们使用基于平面波状态的离散变量表示形式，并介绍在此框架内计算的几个应用程序。
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.
