STABILITY OF DOUBLY-CHARGED NEGATIVE-IONS OF ATOMS IN THE DENSITY-FUNCTIONAL THEORY

被引:0
作者
GUO, YF [1 ]
WHITEHEAD, MA [1 ]
机构
[1] UNIV OXFORD, DEPT THEORET CHEM, OXFORD OX1 3UB, ENGLAND
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A Watson sphere removed to infinity is used to calculate, doubly charged negative ions of the atoms B, C, N, O, Al, Si, P, and S by the electron-correlation and self-interaction corrected generalized exchange local-spin-density functional theory. These second electron affinities are compared to other theoretical calculations and show the doubly charged negative ions of these atoms to be unstable even when the Watson sphere radius is made infinite by an algebraic equation, but less unstable than in ionic crystals.
引用
收藏
页码:217 / 227
页数:11
相关论文
共 53 条
  • [1] HARTREE-FOCK THEORY FOR NEGATIVE-IONS
    AHLRICHS, R
    [J]. CHEMICAL PHYSICS LETTERS, 1975, 34 (03) : 570 - 574
  • [2] EVIDENCE FOR DOUBLY CHARGED NEGATIVE FLUORINE IONS FROM ELECTRON-BOMBARDMENT OF CF3CL
    AHNELL, JE
    KOSKI, WS
    [J]. NATURE-PHYSICAL SCIENCE, 1973, 245 (141): : 30 - 31
  • [3] IONIZATION POTENTIALS, ELECTRON AFFINITIES AND SCREENING CONSTANTS - A SIMPLE THEORY
    BAUGHAN, EC
    [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1961, 57 (11): : 1863 - &
  • [4] BAUGHAN EC, 1959, T FARADAY SOC, V55, P736
  • [5] BAUGHAN EC, 1959, T FARADAY SOC, P2025
  • [6] EXISTENCE OF DOUBLY NEGATIVE CHARGED HEAVY IONS
    BAUMANN, H
    HEINICKE, E
    KAISER, HJ
    BETHGE, K
    [J]. NUCLEAR INSTRUMENTS & METHODS, 1971, 95 (02): : 389 - &
  • [7] USE OF THE X-ALPHA-METHOD FOR THE CHARACTERIZATION OF TEMPORARY NEGATIVE-IONS OF BENZENE AND SUBSTITUTED BENZENES
    CHAO, JSY
    JORDAN, KD
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (22) : 5578 - 5582
  • [8] ATOMIC NEGATIVE IONS
    CLEMENTI, E
    MCLEAN, AD
    [J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (2A): : A419 - &
  • [9] CALCULATED ELECTRON-AFFINITIES OF THE ELEMENTS
    COLE, LA
    PERDEW, JP
    [J]. PHYSICAL REVIEW A, 1982, 25 (03): : 1265 - 1271
  • [10] GROUND-STATES OF CA- AND SC- FROM 2 THEORETICAL POINTS-OF-VIEW
    FISCHER, CF
    LAGOWSKI, JB
    VOSKO, SH
    [J]. PHYSICAL REVIEW LETTERS, 1987, 59 (20) : 2263 - 2266