COMPLETE CALCULATIONS OF ELECTRONIC ENERGIES OF SOLIDS

被引：67

作者：

HARRIS, FE

MONKHORST, HJ

机构：

[1] Department of Physics, University of Utah, Salt Lake City

来源：

PHYSICAL REVIEW LETTERS | 1969年 / 23卷 / 18期

关键词：

D O I：

10.1103/PhysRevLett.23.1026

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A method is described for the complete calculation of electronic energies in crystalline solids without approximating overlap, electron-repulsion, or exchange contributions. The practicality of the method is confirmed by preliminary results, which also indicate reasons for the considerable success of independent-electron methods. © 1969 The American Physical Society.

引用

页码：1026 / +

页数：1

共 4 条

[1] ON CALCULATION OF MULTICENTER 2-ELECTRON REPULSION INTEGRALS INVOLVING SLATER FUNCTIONS
BONHAM, RA
COX, HL
PEACHER, JL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (10) : 3083 - &
[2] Theory of Brilloum zones and symmetry properties of wave functions in crystals
Bouckaert, LP
Smoluchowski, R
Wigner, E
[J]. PHYSICAL REVIEW, 1936, 50 (01): : 58 - 67
[3] WANNIER REPRESENTATION OF ENERGY IN METALS
GIRIFALCO, LA
[J]. PHYSICAL REVIEW, 1969, 179 (03): : 616 - +
[4] MONKHORST HJ, TO BE PUBLISHED

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