Optimization of nonlinear parameters in trial wave functions with a very large number of terms

被引:22
作者
Frolov, Alexei M. [1 ]
机构
[1] Univ Western Ontario, Dept Math Appl, London, ON N6A 5B7, Canada
来源
PHYSICAL REVIEW E | 2006年 / 74卷 / 02期
关键词
D O I
10.1103/PhysRevE.74.027702
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
A procedure is proposed to construct highly accurate variational wave functions with large and very large numbers of basis functions. The procedure has a number of advantages in actual computations on parallel computer clusters. In particular, by using this procedure we have determined very accurate numerical values of the ground-state energies in the positronium ion Ps(-) (or e(-)e(+)e(-)) (E=-0.262 005 070 232 980 107 770 375 a.u.) and hydrogen ion H-infinity(-) (E=-0.527 751 016 544 377 196 589 759 a.u.) The variational energies of the negative hydrogenlike ions (or H--like ions) with the finite nuclear masses (T-, D-, H-1(-), and Mu(-)) are also presented. These energies are the best variational ground-state energies ever obtained for these ions.
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页数:4
相关论文
共 13 条
[1]   A Fortran 90-based multiprecision system [J].
Bailey, DH .
ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE, 1995, 21 (04) :379-387
[2]   Integer relation detection [J].
Bailey, DH .
COMPUTING IN SCIENCE & ENGINEERING, 2000, 2 (01) :24-28
[3]  
DONGARRA JJ, 1979, LINPACK USERS GUIDE
[4]   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
[5]  
EPSTEIN ST, 1977, VARIATIONAL METHOD Q, pCH1
[6]  
EPSTEIN ST, 1977, VARIATIONAL METHOD Q, pCH7
[7]   Lowest order QED corrections for the H- and Mu- ions [J].
Frolov, AM .
PHYSICS LETTERS A, 2005, 345 (1-3) :173-183
[8]   Positron annihilation in the positronium negative ion Ps- [J].
Frolov, AM .
PHYSICS LETTERS A, 2005, 342 (5-6) :430-438
[9]   Multibox strategy for constructing highly accurate bound-state wave functions for three-body systems [J].
Frolov, AM .
PHYSICAL REVIEW E, 2001, 64 (03) :6
[10]   RADIATIVE CORRECTIONS TO PAIR ANNIHILATION [J].
HARRIS, I ;
BROWN, LM .
PHYSICAL REVIEW, 1957, 105 (05) :1656-1661