REMARK ON THE MOMENT EXPANSION OF TOTAL PI-ELECTRON ENERGY

被引：25

作者：

GUTMAN, I

机构：

[1] Faculty of Science, University of Kragujevac, Kragujevac, YU-34000

来源：

THEORETICA CHIMICA ACTA | 1992年 / 83卷 / 5-6期

关键词：

HUCKEL THEORY; TOTAL PI-ELECTRON ENERGY; MOMENTS;

D O I：

10.1007/BF01113057

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 truncated expansion of the function Absolute value of x was frequently used to express the total Huckel pi-electron energy (E) in terms of moments. We now present an identity which connects E with an infinite series of moments. This series is convergent. Lower and upper bounds for E are obtained, based on the same infinite moment expansion.

引用

页码：313 / 318

页数：6

共 25 条

[1] ON A RESONANCE ENERGY-MODEL BASED ON EXPANSION IN TERMS OF ACYCLIC MOMENTS - EXACT RESULTS [J].