Uncoupling correlated calculations in atomic physics: Very high accuracy and ease

被引:72
作者
Goldman, SP [1 ]
机构
[1] Univ Western Ontario, Dept Phys, London, ON N6A 3K7, Canada
来源
PHYSICAL REVIEW A | 1998年 / 57卷 / 02期
关键词
D O I
10.1103/PhysRevA.57.R677
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
An uncoupled correlated variational method (i.e., explicitly using the interelectronic coordinates) for calculations involving several electrons is introduced. All the overlap and Hamiltonian matrix elements, including those involving the electron-electron interaction, are simple products of one-dimensional integrations. Although simple to implement, the method yields the best available energy for the ground state of the He zeroth-order Hamiltonian H-0 = H-1 + H-2 + 1/r(12). Preliminary nonoptimized and nonextrapolated calculations yield E = -2.903 724 377 034 119 593 8(50) a.u.
引用
收藏
页码:R677 / R680
页数:4
相关论文
共 17 条
[1]  
ACCAD Y, 1984, PHYS REV A, V29, P980
[2]  
Drake G. W. F., 1996, Atomic, Molecular, and Optical Physics Handbook
[3]   ENERGIES AND RELATIVISTIC CORRECTIONS FOR THE RYDBERG STATES OF HELIUM - VARIATIONAL RESULTS AND ASYMPTOTIC ANALYSIS [J].
DRAKE, GWF ;
YAN, ZC .
PHYSICAL REVIEW A, 1992, 46 (05) :2378-2409
[4]   VARIATIONAL EIGENVALUES FOR THE S-STATES OF HELIUM [J].
DRAKE, GWF ;
YAN, ZC .
CHEMICAL PHYSICS LETTERS, 1994, 229 (4-5) :486-490
[5]   LOGARITHMIC TERMS IN WAVE FUNCTIONS OF GROUND STATE OF 2-ELECTRON ATOMS [J].
FRANKOWSKI, K ;
PEKERIS, CL .
PHYSICAL REVIEW, 1966, 146 (01) :46-+
[6]   CORRECTION [J].
FRANKOWSKI, K .
PHYSICAL REVIEW, 1966, 150 (01) :366-+
[7]  
FREUND DE, 1971, PHYS REV A, V4, P516
[8]   FINITE BASIS-SET APPROACH TO THE DIRAC-HARTREE-FOCK EQUATIONS [J].
GOLDMAN, SP ;
DALGARNO, A .
PHYSICAL REVIEW LETTERS, 1986, 57 (04) :408-411
[9]   MODIFIED CONFIGURATION-INTERACTION METHOD [J].
GOLDMAN, SP .
PHYSICAL REVIEW A, 1995, 52 (05) :3718-3729
[10]   MODIFIED CONFIGURATION-INTERACTION METHOD FOR ACCURATE CALCULATIONS WITH SMALL BASIS-SETS [J].
GOLDMAN, SP .
PHYSICAL REVIEW LETTERS, 1994, 73 (19) :2547-2550