Finite-element calculations for the three-body Coulomb problem with two equal masses

被引:39
作者
Ackermann, J [1 ]
Shertzer, J [1 ]
机构
[1] COLL HOLY CROSS, WORCESTER, MA 01610 USA
关键词
D O I
10.1103/PhysRevA.54.365
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
An accurate numerical finite-element method (FEM) solution of the three-body Coulomb problem with two equal masses is presented. The application of the FEM to systems with mass ratios ranging from 1836 to 1/1836 yields upper bounds for energy eigenvalues to a precision in the range of 10(-11)-10(-9) a.u. Expectation values for different operators are computed and discussed.
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页码:365 / 371
页数:7
相关论文
共 36 条
[1]   A 2-DIMENSIONAL MULTILEVEL ADAPTIVE FINITE-ELEMENT METHOD FOR THE TIME-INDEPENDENT SCHRODINGER-EQUATION [J].
ACKERMANN, J ;
ROITZSCH, R .
CHEMICAL PHYSICS LETTERS, 1993, 214 (01) :109-117
[2]   A SELF-ADAPTIVE MULTILEVEL FINITE-ELEMENT METHOD FOR THE STATIONARY SCHRODINGER-EQUATION IN 3-SPACE DIMENSIONS [J].
ACKERMANN, J ;
ERDMANN, B ;
ROITZSCH, R .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (09) :7643-7650
[3]   FINITE-ELEMENT-METHOD EXPECTATION VALUES FOR CORRELATED 2-ELECTRON WAVE-FUNCTIONS [J].
ACKERMANN, J .
PHYSICAL REVIEW A, 1995, 52 (03) :1968-1975
[4]   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
[5]   ACCURATE NONRELATIVISTIC EXPECTATION VALUES FOR H2+ [J].
BABB, JF ;
SHERTZER, J .
CHEMICAL PHYSICS LETTERS, 1992, 189 (03) :287-290
[6]   PHOTODETACHMENT OF THE POSITRONIUM NEGATIVE-ION [J].
BHATIA, AK ;
DRACHMAN, RJ .
PHYSICAL REVIEW A, 1985, 32 (06) :3745-3747
[7]   DECOMPOSITION OF SCHRODINGER EQUATION FOR 2 IDENTICAL PARTICLES AND A THIRD PARTICLE OF FINITE MASS [J].
BHATIA, AK ;
TEMKIN, A .
PHYSICAL REVIEW, 1965, 137 (5A) :1335-&
[9]   ACCURATE EXPECTATION VALUES FOR H-2+ (AND ITS ISOTOPES) AND H-2 [J].
BISHOP, DM ;
CHEUNG, LM .
MOLECULAR PHYSICS, 1978, 36 (02) :501-507
[10]   CORRELATED 2-ELECTRON WAVE-FUNCTIONS OF ANY SYMMETRY [J].
BOTTCHER, C ;
SCHULTZ, DR ;
MADISON, DH .
PHYSICAL REVIEW A, 1994, 49 (03) :1714-1723