ERROR BOUND FOR THE HARTREE-FOCK ENERGY OF ATOMS AND MOLECULES

被引：84

作者：

BACH, V

机构：

[1] Institut für Theoretische Physik, ETH Hönggerberg, Zürich

来源：

COMMUNICATIONS IN MATHEMATICAL PHYSICS | 1992年 / 147卷 / 03期

关键词：

D O I：

10.1007/BF02097241

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We estimate the error of the Hartree-Fock energy of atoms and molecules in terms of the one-particle density matrix corresponding to the exact ground state. As an application we show this error to be of order O(Z5/3-delta) for any delta < 2/21 as the total nuclear charge Z becomes large.

引用

页码：527 / 548

页数：22

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