ACCURATE ALGEBRAIC DENSITIES AND INTRACULES FOR HELIUM-LIKE IONS

被引:52
|
作者
KOGA, T [1 ]
KASAI, Y [1 ]
THAKKAR, AJ [1 ]
机构
[1] UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
关键词
D O I
10.1002/qua.560460603
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
Accurate electron number densities and interelectronic distance (intracule) densities are given in simple algebraic form for the ground states of H-, He, Li+, Be2+, B3+, and Ne8+. The densities are obtained from systematic sequences of increasingly accurate Hylleraas-type wave functions. The most accurate densities are obtained from 204-term wave functions that lead to variational energies no more than 16 nano-Hartrees above the exact ones. The algebraic densities permit the evaluation of systematic sequences of many expectation values. Some moments of the densities are evaluated in this manner.
引用
收藏
页码:689 / 699
页数:11
相关论文
共 50 条
  • [1] LEVEL DENSITIES OF HELIUM-LIKE AND LITHIUM-LIKE IONS
    GALUSHKI.YI
    SOVIET ATOMIC ENERGY-USSR, 1971, 31 (03): : 1006 - &
  • [2] CHARGE-DENSITIES AND 2-ELECTRON INTRACULES FOR THE LOW-LYING EXCITED-STATES OF THE HELIUM-LIKE IONS
    REGIER, PE
    THAKKAR, AJ
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (17) : 3391 - 3403
  • [3] ACCURATE CHARGE-DENSITIES AND 2-ELECTRON INTRACULE FUNCTIONS FOR HELIUM-LIKE IONS
    THAKKAR, AJ
    SMITH, VH
    JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (03): : 1191 - 1196
  • [4] CHARGE AND INTRACULE DENSITIES IN SINGLY EXCITED HELIUM-LIKE IONS
    CANN, NM
    BOYD, RJ
    THAKKAR, AJ
    JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (09): : 7132 - 7139
  • [5] IONIZATION OF HELIUM-LIKE IONS
    CHANDRA, S
    NARAIN, U
    INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1976, 14 (08) : 693 - 694
  • [6] Recombination spectra of helium-like ions
    Bautista, MA
    Kallman, TR
    ASTROPHYSICAL JOURNAL, 2000, 544 (01): : 581 - 591
  • [7] CORRELATION SPLITTING IN HELIUM-LIKE IONS
    SHULL, H
    LOWDIN, PO
    JOURNAL OF CHEMICAL PHYSICS, 1956, 25 (05): : 1035 - 1040
  • [8] DIELECTRONIC RECOMBINATION OF HELIUM-LIKE IONS
    KNAPP, DA
    MARRS, RE
    SCHNEIDER, MB
    CHEN, MH
    LEVINE, MA
    LEE, P
    PHYSICAL REVIEW A, 1993, 47 (03): : 2039 - 2046
  • [9] HOLES STATES IN HELIUM-LIKE IONS
    CHEGLOKOV, EI
    ZELICHENKO, VM
    IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII FIZIKA, 1971, (04): : 90 - +
  • [10] Fine structure of helium and light helium-like ions
    Pachucki, Krzysztof
    Yerokhin, Vladimir A.
    CANADIAN JOURNAL OF PHYSICS, 2011, 89 (01) : 95 - 101