观点:“相对性+相关性+ QED =实验”
Perspective: "Relativity + Correlation + QED = Experiment''
摘要:
电子结构计算的最终目标是使标题“方程”的左右两边尽可能接近。这需要同时对相对论、相关性和量子电动力学(QED)效应进行高精度处理。虽然相对论效应和QED效应都可以很容易地建立在多电子哈密顿量中,但由于波函数中参数的指数增长,电子关联更难以描述。与无自旋情况相比,自旋-轨道相互作用导致自旋对称性和伴随的复代数的损失,从而使电子关联的处理更加困难。本文着重介绍了这些问题的可能解决办法。
英文摘要:
The ultimate goal of electronic structure calculations is to make the left and right hand sides of the titled ``equation'' as close as possible. This requires high-precision treatment of relativistic, correlation, and quantum electrodynamics (QED) effects simultaneously. While both relativistic and QED effects can readily be built into the many-electron Hamiltonian, electron correlation is more difficult to describe due to the exponential growth of the number of parameters in the wave function. Compared with the spin-free case, spin-orbit interaction results in the loss of spin symmetry and concomitant complex algebra, thereby rendering the treatment of electron correlation even more difficult. Possible solutions to these issues are highlighted here.
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。