Compact 1 1S helium wave functions

被引:14
|
作者
David, Carl W. [1 ]
机构
[1] Univ Connecticut, Dept Chem, Storrs, CT 06269 USA
来源
PHYSICAL REVIEW A | 2006年 / 74卷 / 01期
关键词
D O I
10.1103/PhysRevA.74.014501
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A highly compact four-parameter form for helium's approximate nonrelativistic wave function is proposed and shown to yield an energy expectation value within 0.003 a.u. of the "exact" value. The wave function employs proper atomic-number-parametrized hydrogenic orbitals and a correlation function whose form is [1+(1/2)r(12)e(12)(-alpha r)], coupled with a variationally determined expansion in r(1), r(2), and r(12).
引用
收藏
页数:2
相关论文
共 50 条
  • [1] Compact 1 1S helium wave functions (vol 74, art no 014501, 2006)
    David, Carl W.
    PHYSICAL REVIEW A, 2006, 74 (05):
  • [2] NUMERICAL CALCULATION OF THE WAVE FUNCTIONS AND ENERGIES OF THE 1 1S AND 2 3S STATES OF HELIUM
    TYCKO, DH
    THOMAS, LH
    KING, KM
    PHYSICAL REVIEW, 1958, 109 (02): : 369 - 374
  • [3] HELIUM STATES .I. NOVEL WAVE FUNCTIONS FOR SINGLY EXCITED 1S STATES
    SCHRADER, DM
    THEORETICA CHIMICA ACTA, 1967, 7 (02): : 97 - &
  • [4] USE OF TH[1S] AND 1S FUNCTIONS AS EXPANSION FUNCTIONS
    YUE, CP
    THEORETICA CHIMICA ACTA, 1971, 22 (04): : 407 - &
  • [5] Bethe logarithm for the 1 1S and 2 1S states of helium
    Korobov, VI
    Korobov, SV
    PHYSICAL REVIEW A, 1999, 59 (05): : 3394 - 3396
  • [6] Accurate evaluation of the 1s wave functions of kaonic hydrogen
    C. Nualchimplee
    P. Suebka
    Y. Yan
    Amand Faessler
    Hyperfine Interactions, 2009, 193 : 97 - 102
  • [7] Accurate evaluation of the 1s wave functions of kaonic hydrogen
    Nualchimplee, C.
    Suebka, P.
    Yan, Y.
    Faessler, Amand
    HYPERFINE INTERACTIONS, 2009, 193 (1-3): : 97 - 102
  • [8] Z-1/2 EXPANSION OF UNRESTRICTED HARTREE-FOCK EQUATIONS FOR (1S)(1S') 1S STATES OF HELIUM AND HELIUM-LIKE IONS
    COULSON, CA
    HIBBERT, A
    PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 91 (571P): : 33 - &
  • [9] 2 1S EXCITATION OF HELIUM - A PRECISE DISTORTED-WAVE APPROACH
    SRIVASTAVA, R
    KUMAR, M
    TRIPATHI, AN
    JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (04): : 1818 - 1822
  • [10] Z-1/2 EXPANSION OF UNRESTRICTED HARTREE-FOCK EQUATIONS FOR (1S)(1S) 1S STATES OF HELIUM AND HELIUM-LIKE IONS .2.
    HIBBERT, A
    PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 91 (574P): : 819 - &