密度泛函理论和多体微扰理论计算金阴离子团簇的精确电离势
Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory
摘要：
本文采用密度泛函理论和多体微扰理论（G0W0），对小团簇的电离势进行了理论研究.我们发现，G0W0是最好的方法，并正确地描述了第一电离势的精度约为0.1 eV。
英文摘要：
We present a theoretical study of the ionization potential in small anionic gold clusters, using density functional theory, with and without exact-exchange, and many body perturbation theory, namely the G0W0 approach. We find that G0W0 is the best approach and correctly describes the first ionization potential with an accuracy of about 0.1 eV.
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。
