POTENTIAL-ENERGY CURVE OF H-2(+) RELATED TO MIRROR-PLANE GROUND-STATE ELECTRON-DENSITY

被引：4
|
作者：
MARCH, NH [1 ]
ALONSO, JA [1 ]
LOPEZ, JM [1 ]
机构：
[1] UNIV VALLADOLID,DEPT FIS TEOR,E-47011 VALLADOLID,SPAIN
来源：
MOLECULAR PHYSICS | 1993年 / 79卷 / 05期
关键词：
D O I：
10.1080/00268979300101901
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：
For closed shells in a bare Coulomb field, the one-centre density rho(r) can be characterized solely by s states. Here, the two-centre bare Coulomb field is considered for the molecular ion H-2+. The potential energy curve, known to be a unique function of the ground-state density rho(r, R), with R the internuclear separation, is shown here to be determined solely by the electron density on the plane perpendicularly bisecting the bond axis.
引用
收藏
页码：1143 / 1146
页数：4
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