Mean excitation energy calculations for the atoms Z ≤ 54

被引:0
|
作者
M. Çağatay Tufan
Zeynep Yüksel
机构
[1] Ondokuz Mayıs University,Physics Department, Faculty of Arts and Sciences
来源
Indian Journal of Physics | 2019年 / 93卷
关键词
Mean excitation energy; Charge densities; Thomas–Fermi; Roothan–Hartree–Fock; 31.15.Bs; 34.50.Fa; 21.60.-n; 31.15. E-;
D O I
暂无
中图分类号
学科分类号
摘要
In this work, the mean excitation energies of atoms from Z = 1 to 54 were calculated. The calculations were carried out by using three different atomic electron densities. Thomas–Fermi electron densities with two different screening functions and Roothan–Hartree–Fock (RHF) electron densities were used. Obtained results show the RHF electron densities give more accurate results than others. In mean excitation calculations, γ is set to 2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \sqrt 2 $$\end{document} as suggested. However, when mean excitation energies are normalized to the reference values, it is found that γ values are ranging from 0.8 to 1.8. By using these γ values, one can be calculated the effective mean excitation energy more accurately than previous calculations.
引用
收藏
页码:301 / 305
页数:4
相关论文
共 50 条
  • [21] Dummy Atoms in Alchemical Free Energy Calculations
    Fleck, Markus
    Wieder, Marcus
    Boresch, Stefan
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 17 (07) : 4403 - 4419
  • [22] Benchmark energy calculations on Be-like atoms
    Komasa, J
    Rychlewski, J
    Jankowski, K
    PHYSICAL REVIEW A, 2002, 65 (04): : 425071 - 425075
  • [23] The Effect of Solvation on the Mean Excitation Energy of Glycine
    Aidas, Kestutis
    Kongsted, Jacob
    Sabin, John R.
    Oddershede, Jens
    Mikkelsen, Kurt V.
    Sauer, Stephan P. A.
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2010, 1 (01): : 242 - 245
  • [24] MEAN MOMENTUM AND EXCITATION ENERGY OF ARGON IONS
    SUMIN, LV
    GUREV, MV
    TUNITSKI.NN
    SOVIET PHYSICS JETP-USSR, 1965, 20 (02): : 299 - &
  • [25] EQUIVALENCE OF STRESS AND ENERGY CALCULATIONS OF MEAN STRESS
    PEDERSEN, OB
    BROWN, LM
    ACTA METALLURGICA, 1977, 25 (11): : 1303 - 1305
  • [26] MEAN EXCITATION-ENERGIES OF ATOMS USING THE LOCAL PLASMA APPROXIMATION
    TUNG, CJ
    SHYU, RL
    KWEI, CM
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 1988, 21 (07) : 1125 - 1129
  • [27] Measurement of mean ionization excitation energy by the energy loss method
    Liu, Changshi
    An, Huyan
    He Jishu/Nuclear Techniques, 1997, 20 (06): : 344 - 346
  • [28] EXCITATION AND IONIZATION IN LOW-Z ATOMS BY SLOW MAGNETIC MONOPOLES
    PATERA, V
    PHYSICS LETTERS A, 1989, 137 (06) : 259 - 266
  • [29] Mean kinetic energy and mean energy spent in excitation by electrons drifting through dense gases
    Null, FE
    PHYSICAL REVIEW, 1935, 47 (04): : 301 - 305
  • [30] Mean excitation energies of singly charged atomic anions with Z ≤ 18
    Sauer, Stephan P. A.
    Sabin, John R.
    Oddershede, Jens
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2019, 52 (09)