MODIFICATION OF VIRTUAL ORBITALS

被引：23

作者：

BEEBE, NHF

机构：

[1] University of Florida, Gainesville, Florida

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1979年 / 15卷 / 06期

关键词：

D O I：

10.1002/qua.560150605

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 utility of modifying the virtual orbitals of the Fock operator by introducition of an additional potential is discussed. A particularly convenient form for computational implementations is obtained, and improved methods for the practical solution of the secular problem are recommended. Copyright © 1979 John Wiley & Sons, Inc.

引用

页码：589 / 600

页数：12

共 29 条

[1] ATOMIC CENTRAL-FIELD MODELS FOR OPEN SHELLS WITH APPLICATION TO TRANSITION-METALS [J].