Expectation values in one- and two-electron atomic systems

被引:42
|
作者
Tsapline, B. [1 ]
机构
[1] Ctr Adv Studies, Battelle Inst, Carouge, Switzerland
关键词
D O I
10.1016/0009-2614(70)85235-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Some inequalities are derived for electronic expectation values in position and momentum spaces from theoretical considerations including the Schwarz inequality. The influence of the type of the basis (usual exponential orbitals or gaussian orbitals) is analysed. Numerical applications are given for hydrogen and helium.
引用
收藏
页码:596 / 600
页数:5
相关论文
共 50 条
  • [41] Simulations of one- and two-electron systems by Bead-Fourier path integral molecular dynamics
    Ivanov, SD
    Lyubartsev, AP
    JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (03):
  • [42] A Preorganized Ditopic Borane as Highly Efficient One- or Two-Electron Trap
    Huebner, Alexander
    Kaese, Thomas
    Diefenbach, Martin
    Endeward, Burkhard
    Bolte, Michael
    Lerner, Hans-Wolfram
    Holthausen, Max C.
    Wagner, Matthias
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 137 (10) : 3705 - 3714
  • [43] One- and two-electron oxidation of thiols: mechanisms, kinetics and biological fates
    Trujillo, Madia
    Alvarez, Beatriz
    Radi, Rafael
    FREE RADICAL RESEARCH, 2016, 50 (02) : 150 - 171
  • [44] Quadratic nonlinearity of one- and two-electron oxidized metalloporphyrins and their switching in solution
    Wahab, Abdul
    Bhattacharya, Mily
    Ghosh, Sampa
    Samuelson, A. G.
    Das, Puspendu K.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (10): : 2842 - 2847
  • [45] Identification of one- and two-electron impurity centers in semiconductors by Mossbauer spectroscopy
    Masterov, VF
    Nasredinov, FS
    Nemov, SA
    Seregin, PP
    SEMICONDUCTORS, 1996, 30 (05) : 450 - 455
  • [46] Quantum electrodynamics in one- and two-electron high-Z ions
    Stoehlker, Th.
    Gumberidze, A.
    Kumar, A.
    Reuschl, R.
    Trassinelli, M.
    ADVANCES IN QUANTUM CHEMISTRY, VOL 53: CURRENT TRENDS IN ATOMIC PHYSICS, 2008, 53 : 57 - 65
  • [47] Mechanisms of the coupling of one- and two-electron reactions in chemical and biochemical processes
    Yasnikov A.A.
    Samus' N.V.
    Uzienko A.B.
    Mishchenko I.N.
    Theoretical and Experimental Chemistry, 1999, 35 (3) : 125 - 136
  • [48] Electron capture from one- and two-electron atoms by fast positrons in dense plasmas
    Jung, YD
    PHYSICS OF PLASMAS, 1997, 4 (01) : 16 - 20
  • [49] Hund's rule in two-electron atomic systems
    Harriman, John E.
    JOURNAL OF CHEMICAL EDUCATION, 2008, 85 (03) : 451 - 452
  • [50] The electron impact ionization of one- and two-electron atoms and ions close to the ionization threshold
    Martinez, J. M.
    Walters, H. R. J.
    Whelan, Colm T.
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2008, 41 (06)