PRESSURE CALCULATIONS AND VIRIAL THEOREM FOR MODIFIED HARGREE-FOCK SOLIDS AND ATOMS

被引：41

作者：

ROSS, M

机构：

[1] Lawrence Radiation Laboratory, University of California, Livermore

来源：

PHYSICAL REVIEW | 1969年 / 179卷 / 03期

关键词：

D O I：

10.1103/PhysRev.179.612

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

An expression for the pressure of a Hartree-Fock-Slater solid is derived. It is shown that for this expression only those forms of the local exchange potential that are rigorously derived from the variational principle will give meaningful results in pressure calculations. © 1969 The American Physical Society.

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页码：612 / &

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