A PROGRAM FOR COMPUTING MAGNETIC DIPOLE AND ELECTRIC QUADRUPOLE HYPERFINE CONSTANTS FROM MCHF WAVE-FUNCTIONS

被引：42

作者：

JONSSON, P

WAHLSTROM, CG

FISCHER, CF

机构：

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

[2] LUND INST TECHNOL,DEPT PHYS,S-22100 LUND,SWEDEN

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1993年 / 74卷 / 03期

关键词：

HYPERFINE STRUCTURE; A-FACTOR; B-FACTOR; ORBITAL TERM; SPIN-DIPOLE TERM; FERMI CONTACT TERM; ELECTRIC QUADRUPOLE TERM; MCHF CALCULATION; CI CALCULATION;

D O I：

10.1016/0010-4655(93)90022-5

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Given an electronic wave function, generated by the MCHF program (LS format) or the MCHF_CI program (LSJ format), this program computes the hyperfine interaction constants, A(J) and B(J). In strong experimental magnetic fields, the splitting is also affected by the off-diagonal hyperfine constants A(J,J-1), B(J,J-1), and B(J,J-2) and these are computed as well, depending on the input data.

引用

页码：399 / 414

页数：16

共 16 条

[1] MCHF ATOMIC-STRUCTURE PACKAGE - SUPPORT LIBRARIES AND UTILITIES [J].