SCALING PROPERTIES OF INHOMOGENEITY KINETIC-ENERGY IN SOME DIATOMIC-MOLECULES, IN RELATION TO DISSOCIATION-ENERGIES

被引：1
|
作者：
LAMING, GJ
NAGY, A
HANDY, NC
MARCH, NH
机构：
[1] LAJOS KOSSUTH UNIV,INST THEORET PHYS,H-4010 DEBRECEN,HUNGARY
[2] UNIV OXFORD,DEPT THEORET CHEM,OXFORD OX1 3UB,ENGLAND
来源：
MOLECULAR PHYSICS | 1994年 / 81卷 / 06期
关键词：
D O I：
10.1080/00268979400101031
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 ground-state density rho(r) at equilibrium internuclear distances is utilized to calculate the inhomogeneity kinetic energy T2 = (HBAR/72 m) integral (DELTArho)2/rho dr for a number of diatomics. The scaling properties of T2 are exhibited, together with some brief comments on the relation of T2 to molecular dissociation.
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页码：1497 / 1500
页数：4
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