Relativistic coupled-cluster calculations of the electron affinity and ionization potentials of lawrencium

被引：0

作者：

Guo, Yangyang ^{[1
,2
]}

Pašteka, Lukáš F. ^{[2
,3
]}

Nagame, Yuichiro ^{[4
]}

Sato, Tetsuya K. ^{[4
]}

Eliav, Ephraim ^{[5
]}

Reitsma, Marten L. ^{[2
]}

Borschevsky, Anastasia ^{[2
]}

机构：

[1] Institute of Quantum Materials and Physics, Henan Academy of Sciences, Zhengzhou,450046, China

[2] Van Swinderen Institute for Particle Physics and Gravity, University of Groningen, Nijenborgh 4, Groningen,9747, Netherlands

[3] Department of Physical and Theoretical Chemistry, Laboratory for Advanced Materials, Faculty of Natural Sciences, Comenius University, Mlynská dolina, Bratislava,84215, Slovakia

[4] Advanced Science Research Center, Japan Atomic Energy Agency (JAEA), Tokai, Ibaraki,319-1195, Japan

[5] School of Chemistry, Tel Aviv University, Tel Aviv,6997801, Israel

来源：

Physical Review A | 2024年 / 110卷 / 02期

关键词：

D O I：

10.1103/PhysRevA.110.022817

中图分类号：

学科分类号：

摘要：

The calculations of the first and the second ionization potentials of lawrencium and lutetium and the electron affinity of lawrencium are performed within the relativistic coupled-cluster framework. These results are corrected by including the contributions of extrapolation to the complete basis set limit and higher-order contributions due to relativity and electron correlation. The excellent agreement between our predictions of the ionization potentials of Lu and Lr and experimental values supports the accuracy of our predictions of the second ionization potential and the electron affinity of Lr. © 2024 American Physical Society.

引用

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