Margócsy Ádám, Mátyus Edit
ELTE, Eötvös Loránd University, Institute of Chemistry, Pázmány Péter Sétány 1/A, Budapest H-1117, Hungary.
J Chem Phys. 2024 May 28;160(20). doi: 10.1063/5.0193250.
This work is a collection of initial calculations and formal considerations within the Salpeter-Sucher exact equal-time relativistic quantum electrodynamics framework. The calculations are carried out as preparation for the computation of pair, retardation, and radiative corrections to the relativistic energy of correlated two-spin-1/2-fermion systems. In this work, particular attention is paid to the retardation and the "one-loop" self-energy corrections, which are known to be among the largest corrections to the correlated relativistic energy. The theoretical development is supplemented with identifying formal connections to the non-relativistic quantum electrodynamics framework, which is based on a correlated but non-relativistic reference, as well as to the "1/Z approach," which is built on a relativistic but independent-particle zeroth order. The two complementary directions currently provide the theoretical framework for light atomic-molecular precision spectroscopy and heavy-atom phenomena. The present theoretical efforts pave the way for relativistic QED corrections to (explicitly) correlated relativistic computations.
这项工作是在萨尔皮特-苏彻精确等时相对论量子电动力学框架内进行的一系列初始计算和形式考量。这些计算是为计算关联的双自旋1/2费米子系统相对论能量的对、延迟和辐射修正做准备。在这项工作中，特别关注延迟和“单圈”自能修正，已知它们是对关联相对论能量的最大修正之一。理论发展还补充了与非相对论量子电动力学框架（基于关联但非相对论参考）以及“1/Z方法”（基于相对论但独立粒子零阶）的形式联系。这两个互补方向目前为轻原子-分子精密光谱学和重原子现象提供了理论框架。目前的理论工作为（明确）关联相对论计算的相对论量子电动力学修正铺平了道路。
