ELECTRIC FIELD GRADIENT FOR 14N IN AMMONIA FROM ONE-CENTER WAVEFUNCTIONS

被引：6

作者：

ELETR, S

HA, TK

OKONSKI, CT

机构：

[1] Department of Chemistry, University of California, Berkeley

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 51卷 / 04期

关键词：

D O I：

10.1063/1.1672192

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The electric field gradient has been computed for 14N in ammonia, employing the one-center SCF wavefunctions of Moccia, Joshi, and Rutledge and Saturno. It is found that the calculated values are comparable to that of a multicenter SCF wavefunction. Influence of configuration interaction on the electricfield-gradient calculation also is discussed.

引用

页码：1430 / &

共 21 条

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