Reduced potential energy curves for diatomic molecules and their respective cations

被引：1

作者：

Abrol, R

Sathyamurthy, N ^{[1
]}

Harbola, MK

机构：

[1] Indian Inst Technol, Dept Chem, Kanpur 208016, Uttar Pradesh, India

[2] Ctr Adv Technol, Laser Phys Div, Indore 452013, India

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 312卷 / 2-4期

关键词：

D O I：

10.1016/S0009-2614(99)00908-2

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：

It is shown that the reduced potential energy curve for a diatomic molecule and its cation are nearly identical, particularly near the minimum, implying that the force constant in reduced variables is nearly the same for the two species. An explanation is given in terms of scaling of the valence-electron wavefunction with respect to the nuclear coordinates. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：341 / 345

页数：5

共 13 条

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ALBERTY RA, 1995, PHYSICAL CHEM, P21

[2]

[Anonymous], 1990, Energy Density Functional Theory of Many Electron Systems

[3] CAN ADDITION OF A BONDING ELECTRON WEAKEN A BOND [J].