SPLINE-GALERKIN METHODS FOR RYDBERG SERIES, INCLUDING BREIT-PAULI EFFECTS

被引：10

作者：

BRAGE, T ^{[1
]}

FISCHER, CF ^{[1
]}

机构：

[1] VANDERBILT UNIV, DEPT COMP SCI, NASHVILLE, TN 37235 USA

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1994年 / 27卷 / 22期

关键词：

D O I：

10.1088/0953-4075/27/22/007

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We discuss the recently introduced spline-Galerkin method for Rydberg series of atomic systems, and extend it to Breit-Pauli configuration interaction calculations. Special emphasis is put on the efficient evaluation of the different radial integrals appearing in these calculations. An application to the 1De series of beryllium illustrates the potential of the method in the non-relativistic case. A Breit-Pauli calculation for the J = 1 odd Rydberg series above the lowest 4s 2S limit of calcium is reported. The resulting energies agree very well with recent experiments.

引用

页码：5467 / 5484

页数：18

共 54 条

[1] SPLINE BASES FOR ATOMIC CALCULATIONS [J].

ALTENBERGERSICZEK, A ;

GILBERT, TL .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (01) :432-433

[2] APPROXIMATE TREATMENT OF INTRA-ATOMIC CORRELATION IN HARTREE-FOCK CALCULATIONS - HG2 (X1EPSILONG+) POTENTIAL [J].

BAYLIS, WE .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1977, 10 (16) :L583-L587

[3] ORTHOGONALITY CONSTRAINTS IN FINITE BASIS-SET CALCULATIONS [J].

BENTLEY, M .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1994, 27 (04) :637-644

[4]

Boor CD., 1978, PRACTICAL GUIDE SPLI

[5] RELATIVISTIC THEORY OF FERMIONS AND CLASSICAL FIELDS ON A COLLOCATION LATTICE [J].

BOTTCHER, C ;

STRAYER, MR .

ANNALS OF PHYSICS, 1987, 175 (01) :64-111

[6] SPLINE-GALERKIN CALCULATIONS FOR RYDBERG SERIES OF CALCIUM [J].

BRAGE, T ;

FISCHER, CF .

PHYSICA SCRIPTA, 1994, 49 (06) :651-660

[7] NONVARIATIONAL, SPLINE-GALERKIN CALCULATIONS OF RESONANCE POSITIONS AND WIDTHS, AND PHOTODETACHMENT AND PHOTOIONIZATION CROSS-SECTIONS FOR H- AND HE [J].

BRAGE, T ;

FISCHER, CF ;

MIECZNIK, G .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1992, 25 (24) :5289-5314

[8]

BRAGE T, 1994, IN PRESS PHYS REV A

[9] VARIATIONAL APPROACH TO CONTINUUM ORBITALS IN A SPLINE BASIS - AN APPLICATION TO H-2+ PHOTOIONIZATION [J].

BROSOLO, M ;

DECLEVA, P .

CHEMICAL PHYSICS, 1992, 159 (02) :185-196

[10] CONTINUUM WAVE-FUNCTIONS CALCULATIONS WITH LEAST-SQUARES SCHEMES IN A B-SPLINES BASIS [J].

BROSOLO, M ;

DECLEVA, P ;

LISINI, A .

COMPUTER PHYSICS COMMUNICATIONS, 1992, 71 (03) :207-214

← 1 2 3 4 5 6 →