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.
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页码：399 / 414
页数：16
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