Compact representation of helium wave functions in perimetric and hyperspherical coordinates

被引:29
作者
Forrey, RC [1 ]
机构
[1] Penn State Univ, Berks Lehigh Valley Coll, Reading, PA 19610 USA
来源
PHYSICAL REVIEW A | 2004年 / 69卷 / 02期
关键词
D O I
10.1103/PhysRevA.69.022504
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Variational calculations of the ground-state energy of helium are performed using a basis set representation that includes an explicit treatment of the Fock expansion in hyperspherical coordinates. The construction of basis functions that have the correct cusp behavior at three-particle coalescence points and the evaluation of integrals containing these functions is discussed. The basis set in hyperspherical coordinates is added to a basis set consisting of products of Laguerre polynomials in perimetric coordinates. It is demonstrated that the use of Fock basis functions provides a substantial improvement in the convergence rate of the basis set expansion.
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页数:10
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共 40 条
[1]   RADIUS OF CONVERGENCE AND ANALYTIC BEHAVIOR OF THE 1/Z EXPANSION [J].
BAKER, JD ;
FREUND, DE ;
HILL, RN ;
MORGAN, JD .
PHYSICAL REVIEW A, 1990, 41 (03) :1247-1273
[2]   The helium wave equation [J].
Bartlett, JH .
PHYSICAL REVIEW, 1937, 51 (08) :0661-0669
[3]   HIGHLY DOUBLY-EXCITED S-STATES OF THE HELIUM ATOM [J].
BURGERS, A ;
WINTGEN, D ;
ROST, JM .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1995, 28 (15) :3163-3183
[4]   On the convergence of the Hylleraas variational method [J].
Coolidge, AS ;
James, HM .
PHYSICAL REVIEW, 1937, 51 (10) :0855-0859
[5]   SOME CALCULATIONS ON THE GROUND AND LOWEST-TRIPLET STATE OF HELIUM IN THE FIXED-NUCLEUS APPROXIMATION [J].
COX, H ;
SMITH, SJ ;
SUTCLIFFE, BT .
PHYSICAL REVIEW A, 1994, 49 (06) :4520-4532
[6]   Atomic physics [J].
Datz, S ;
Drake, GWF ;
Gallagher, TF ;
Kleinpoppen, H ;
Putlitz, GZ .
REVIEWS OF MODERN PHYSICS, 1999, 71 (02) :S223-S241
[7]  
DAVIS PJ, 1984, METHODS NUMEICAL INT
[8]   NEW VARIATIONAL TECHNIQUES FOR THE 1SND STATES OF HELIUM [J].
DRAKE, GWF .
PHYSICAL REVIEW LETTERS, 1987, 59 (14) :1549-1552
[9]   Ground-state energies for helium, H-, and Ps- -: art. no. 054501 [J].
Drake, GWF ;
Cassar, MM ;
Nistor, RA .
PHYSICAL REVIEW A, 2002, 65 (05) :545011-545014
[10]  
DRAKE GWF, 1993, ADV ATOM MOL OPT PHY, V31, P1