Full three-body primitive semiclassical treatment of H2+

被引：15

作者：

Sohlberg, K ^{[1
]}

Tuzun, RE ^{[1
]}

Sumpter, BG ^{[1
]}

Noid, DW ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Chem & Analyt Sci Div 4500N MS6197, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW A | 1998年 / 57卷 / 02期

关键词：

D O I：

10.1103/PhysRevA.57.906

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Primitive semiclassical quantization of H-2(+) and D-2(+) without the restriction of the separation of electronic and nuclear motions. reveals the existence of a small (10%) classical contribution to the one-electron chemical bond. It is found that in the electronic ground state the electron is exchanged classically between the two nuclei and that this exchange is correlated with the molecular vibration. [S1050-2947(98)03302-2].

引用

页码：906 / 913

页数：8

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