COULOMB ENERGY CORRECTIONS IN EXTENDED HUCKEL METHOD

被引：25

作者：

SCHUSTER, P

机构：

[1] Institut für Theoretische Chemie der Universität Wien, Wien

来源：

MONATSHEFTE FUR CHEMIE | 1969年 / 100卷 / 03期

关键词：

D O I：

10.1007/BF00900590

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Some principal failures of the extended Hückel method (EHM) can be removed by taking into account the interatomic Madelung energies" within the molecules. Using first order perturbation theory this energy correction is derived from the approximations of the one-electron-methods which apply an effective Hamiltonian. © 1969 Springer-Verlag."

引用

页码：1033 / &

共 8 条

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