铍原子3、4、5、6和7激发态的希勒拉斯组态相互作用（Hy-CI）非相对论能量

Hylleraas-Configuration Interaction (Hy-CI) Non-Relativistic Energies for the 3 , 4 , 5 , 6 , and 7 Excited States of the Beryllium Atom.

作者信息

Sims James S

机构信息

National Institute of Standards and Technology, Gaithersburg, MD 20899, USA.

出版信息

J Res Natl Inst Stand Technol. 2020 Feb 5;125:125006. doi: 10.6028/jres.125.006. eCollection 2020.

DOI:10.6028/jres.125.006

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11302959/

Abstract

In a previous work Sims and Hagstrom [ 140,224312(2014)] reported Hylleraas-configuration interaction (Hy-CI) method variational calculations for the ground states of the beryllium isoelectronic sequence with an estimated accuracy of 10 to 20 nanohartrees (nHa). In this work the calculations have been extended to the five higher states of the neutral beryllium atom, 3 , 4 , 5 , 6 , and 7 . The best non-relativistic energies obtained for these states are -14.4182 4034 6, -14.3700 8789 0, -14.3515 1167 6,-14.3424 0357 8, and -14.3372 6649 96 Ha, respectively. The 6 result is superior to the known reference energy for that state, while for the 7 state there is no other comparable calculation.

摘要

在之前的一项工作中，西姆斯和哈格斯特姆[140,224312(2014)]报告了对铍等电子序列基态的海勒拉斯组态相互作用（Hy-CI）方法变分计算，估计精度为10至20纳哈特里（nHa）。在这项工作中，计算已扩展到中性铍原子的五个较高能态，即3 、4 、5 、6 和7 。这些态获得的最佳非相对论能量分别为-14.4182 4034 6、-14.3700 8789 0、-14.3515 1167 6、-14.3424 0357 8和-14.3372 6649 96哈特里（Ha）。6 的结果优于该态已知的参考能量，而对于7 态，没有其他可比计算。

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本文引用的文献

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