揭示电子自能与耦合簇双重性理论之间的关系
强关联电子
2025-09-09 v3 材料科学
化学物理
摘要
我们通过引入粒子-轨道-时间解耦的电子自能来推导耦合簇双重性（CCD）�幅方程。 resulting analysis leads to an expression for the ground state correlation energy that is exactly of the form obtained in coupled-cluster doubles theory。我们展示了与离子化能/电子亲和能方程动作耦合簇双重性（IP/EA-EOM-CCD）特征值问题的关系，通过保持粒子-轨道分离性的同时耦合逆向时间自能贡献。 established formal relationships are demonstrated by exact solution of the Hubbard dimer。
关键词
引用
@article{arxiv.2505.18910,
title = {Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory},
author = {Christopher J. N. Coveney},
journal= {arXiv preprint arXiv:2505.18910},
year = {2025}
}