Two-stage strategy for high-precision variational calculations

被引:93
作者
Frolov, AM [1 ]
机构
[1] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada
来源
PHYSICAL REVIEW A | 1998年 / 57卷 / 04期
关键词
D O I
10.1103/PhysRevA.57.2436
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The problem of high-precision, variational, bound-state calculations in few-body systems is discussed. The simple and very effective variational procedure developed below makes possible numerical, bound-state computations in few-body systems with extremely high accuracy. This procedure is based on the proposed two-stage strategy, which is used to construct the approximate wave function. The highly accurate numerical results, which include both energetical and geometrical properties, for various three-body systems[Ps(-),H-infinity(-),He-infinity, and (ppe)(+)] are presented.
引用
收藏
页码:2436 / 2439
页数:4
相关论文
共 19 条
[1]   Finite-element calculations for the three-body Coulomb problem with two equal masses [J].
Ackermann, J ;
Shertzer, J .
PHYSICAL REVIEW A, 1996, 54 (01) :365-371
[2]   ACCURATE NONRELATIVISTIC EXPECTATION VALUES FOR H2+ [J].
BABB, JF ;
SHERTZER, J .
CHEMICAL PHYSICS LETTERS, 1992, 189 (03) :287-290
[3]   NEW CALCULATION OF THE PROPERTIES OF THE POSITRONIUM ION [J].
BHATIA, AK ;
DRACHMAN, RJ .
PHYSICAL REVIEW A, 1983, 28 (04) :2523-2525
[4]   CALCULATION OF TRANSITION FREQUENCIES FOR H2+ AND ITS ISOTOPES TO SPECTROSCOPIC ACCURACY [J].
BISHOP, DM ;
CHEUNG, LM .
PHYSICAL REVIEW A, 1977, 16 (02) :640-645
[5]   CUSP VALUES AND ELECTRON DENSITIES AT COALESCENCE [J].
CHONG, DP ;
SCHRADER, DM .
MOLECULAR PHYSICS, 1969, 16 (02) :137-&
[6]  
COHEN ER, 1993, PHYS TODAY, V45, P9
[7]   SOME CALCULATIONS ON THE GROUND AND LOWEST-TRIPLET STATE OF THE HELIUM ISOELECTRONIC SEQUENCE WITH THE NUCLEUS IN MOTION [J].
COX, H ;
SMITH, SJ ;
SUTCLIFFE, BT .
PHYSICAL REVIEW A, 1994, 49 (06) :4533-4539
[8]  
Cox H, 1996, MOL PHYS, V87, P399
[9]  
DELVES LM, 1968, AUST J PHYS, V21, P1