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

被引：1

作者：

Guo, Yangyang ^{[1
,2
]}

Pasteka, Lukas F. ^{[2
,3
,4
]}

Nagame, Yuichiro ^{[5
]}

Sato, Tetsuya K. ^{[5
]}

Eliav, Ephraim ^{[6
]}

Reitsma, Marten L. ^{[2
]}

Borschevsky, Anastasia ^{[2
]}

机构：

[1] Henan Acad Sci, Inst Quantum Mat & Phys, Zhengzhou 450046, Peoples R China

[2] Univ Groningen, Van Swinderen Inst Particle Phys & Grav, Nijenborgh 4, NL-9747 AG Groningen, Netherlands

[3] Comenius Univ, Fac Nat Sci, Dept Phys & Theoret Chem, Bratislava 84215, Slovakia

[4] Comenius Univ, Fac Nat Sci, Lab Adv Mat, Bratislava 84215, Slovakia

[5] Japan Atom Energy Agcy JAEA, Adv Sci Res Ctr, Ibaraki 3191195, Japan

[6] Tel Aviv Univ, Sch Chem, IL-6997801 Tel Aviv, Israel

来源：

PHYSICAL REVIEW A | 2024年 / 110卷 / 02期

基金：

荷兰研究理事会;

关键词：

TRANSITION ENERGIES; ELEMENTS; SERIES;

D O I：

10.1103/PhysRevA.110.022817

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

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.

引用

页数：6

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