Boundary-condition-determined wave function for the ground state of helium and isoelectronic ions

被引:42
作者
Kleinekathofer, U
Patil, SH
Tang, KT
Toennies, JP
机构
[1] INDIAN INST TECHNOL, DEPT PHYS, BOMBAY 400076, MAHARASHTRA, INDIA
[2] PACIFIC LUTHERAN UNIV, DEPT PHYS, TACOMA, WA 98447 USA
来源
PHYSICAL REVIEW A | 1996年 / 54卷 / 04期
关键词
D O I
10.1103/PhysRevA.54.2840
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A simple nonvariational wave function for two electron atoms is described. The radial part is derived from the asymptotic one-electron wave functions that are modified to account for the proper core boundary conditions. The electron-electron correlation is described by an ansatz which has the correct behavior for r(12)-->0 and r(12)-->infinity. The additional parameter in this ansatz is calculated from a perturbation calculation. This wave function yields ground-state energies for the heliumlike atoms with Z=1 (H-) to 10 (Ne8+) within 0.0021-0.0068E(h) of the exact energies, which is significantly better than obtained with previous models. We also calculated [r(2n)] and multipolar polarizabilities and performed other tests on this wave function.
引用
收藏
页码:2840 / 2849
页数:10
相关论文
共 53 条
[1]   COORDINATE SYSTEMS AND ANALYTIC EXPANSIONS FOR 3-BODY ATOMIC WAVE-FUNCTIONS .1. PARTIAL SUMMATION FOR THE FOCK EXPANSION IN HYPERSPHERICAL COORDINATES [J].
ABBOTT, PC ;
MASLEN, EN .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1987, 20 (08) :2043-2075
[2]   BOUNDS ON THE DECAY OF ELECTRON-DENSITIES WITH SCREENING [J].
AHLRICHS, R ;
HOFFMANNOSTENHOF, M ;
HOFFMANNOSTENHOF, T ;
MORGAN, JD .
PHYSICAL REVIEW A, 1981, 23 (05) :2106-2117
[3]   THE CALCULATION OF THE ABSOLUTE STRENGTHS OF SPECTRAL LINES [J].
BATES, DR ;
DAMGAARD, A .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1949, 242 (842) :101-122
[4]   3-BODY BOUND-STATE PROBLEM WITH COULOMB FORCES [J].
BHADURI, RK ;
NOGAMI, Y .
PHYSICAL REVIEW A, 1976, 13 (06) :1986-1988
[5]   ENERGIES OF THE GROUND STATES OF HE, LI+, AND O-6+ [J].
CHANDRASEKHAR, S ;
HERZBERG, G .
PHYSICAL REVIEW, 1955, 98 (04) :1050-1054
[6]  
Drake GWF, 1993, LONG RANGE CASIMIR F, P107
[7]   CORRELATIONS OF 2 EXCITED ELECTRONS [J].
FANO, U .
REPORTS ON PROGRESS IN PHYSICS, 1983, 46 (02) :97-165
[8]  
Fock V.A., 1954, IZV AKAD NAUK SSSR, V18, P161
[9]   LOGARITHMIC TERMS IN WAVE FUNCTIONS OF GROUND STATE OF 2-ELECTRON ATOMS [J].
FRANKOWSKI, K ;
PEKERIS, CL .
PHYSICAL REVIEW, 1966, 146 (01) :46-+
[10]   CORRECTION [J].
FRANKOWSKI, K .
PHYSICAL REVIEW, 1966, 150 (01) :366-+