首页   按字顺浏览 期刊浏览 卷期浏览 Calculations of magnetic properties
Calculations of magnetic properties

 

作者: DavidM. Bishop,   SławomirM. Cybulski,  

 

期刊: Molecular Physics  (Taylor Available online 1993)
卷期: Volume 80, issue 1  

页码: 199-208

 

ISSN:0026-8976

 

年代: 1993

 

DOI:10.1080/00268979300102181

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The nuclear shielding constants and their change in the presence of an external uniform electric field are investigated for H2, N2, HF, and CO. The relevant properties are calculated analytically at the self-consistent field (SCF) level of approximation. Particular attention is paid to the choice of basis sets and gauge variance, both of which are measured by the satisfaction of certain sum rules. These calculations of electric field dependence are more accurate than those presented hitherto and, in the case of N2, are the first to be published.

 

点击下载:  PDF (537KB)



返 回