THEORETICAL-STUDY OF THE MAGNETIC-PROPERTIES OF A METHANE MOLECULE IN A NONUNIFORM MAGNETIC-FIELD

被引：15
|
作者：
CAPUTO, MC [1 ]
FERRARO, MB [1 ]
LAZZERETTI, P [1 ]
MALAGOLI, M [1 ]
ZANASI, R [1 ]
机构：
[1] UNIV MODENA, DIPARTIMENTO CHIM, I-41100 MODENA, ITALY
来源：
PHYSICAL REVIEW A | 1994年 / 49卷 / 05期
关键词：
D O I：
10.1103/PhysRevA.49.3445
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacting with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations within the random-phase approximation. The Hartree-Fock limit of accuracy has been achieved and the quality of the calculations has been confirmed via tests based on sum rules for the origin dependence of the response properties.
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页码：3445 / 3449
页数：5
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