G-FACTORS AND RELATED MAGNETIC-PROPERTIES OF MOLECULES - FORMULATION OF THEORY AND CALCULATIONS FOR H-2+, HD+, AND D2+

被引：44

作者：

HEGSTROM, RA

机构：

[1] Department of Chemistry, Wake Forest University, Winston-Salem

来源：

PHYSICAL REVIEW A | 1979年 / 19卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.19.17

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

A theoretical framework is presented from which precise electronic g values for molecules may be calculated. The theory is applied to the calculation of g factors and related magnetic properties for H2+, HD+, and D2+. The average g value for the ground state of each of these molecular ions is predicted to be shifted by about 3 ppm from the g factor for atomic hydrogen. The results are expected to be accurate to about 0.1 ppm, and when compared with future experimental measurements may provide the first precise test of the theory of molecular g factors. © 1979 The American Physical Society.

引用

页码：17 / 30

页数：14

共 51 条

[1] GAUSSIAN QUADRATURE FORMULAE FOR SUM1/0 -IN (X)F(X) DX [J].