论文标题
相对论降低密度基质功能理论
Relativistic reduced density matrix functional theory
论文作者
论文摘要
作为一种有效描述相对论量子世界中相关效应的新方法，我们建议考虑降低密度矩阵功能理论，其中关键数量是一阶降低密度矩阵（1-RDM）。在这项工作中，我们首先介绍了理论基础，以将该理论的适用性扩展到相对论领域。然后，使用所谓的无对（NP）近似，我们通过关注电子波函数并忽略了正电子的明确贡献来获得相对论效应的近似处理。在NP近似中，理论变得类似于非依次主义情况，仅是未知的功能，该功能用1-RDM来描述电子电子相互作用。这需要构建功能近似值，因此我们还提出了在非派别环境中使用的一些常见RDMFT近似值的相对论版本并讨论其属性
As a new approach to efficiently describe correlation effects in the relativistic quantum world we propose to consider reduced density matrix functional theory, where the key quantity is the first-order reduced density matrix (1-RDM). In this work, we first introduce the theoretical foundations to extend the applicability of this theory to the relativistic domain. Then, using the so-called no-pair (np) approximation, we arrive at an approximate treatment of the relativistic effects by focusing on electronic wavefunctions and neglecting explicit contributions from positrons. Within the np approximation the theory becomes similar to the nonrelativistic case, with as unknown only the functional that describes the electron-electron interactions in terms of the 1-RDM. This requires the construction of functional approximations, and we therefore also present the relativistic versions of some common RDMFT approximations that are used in the nonrelativistic context and discuss their properties
