New version of the modified augmented-plane-wave method

被引：52

作者：

Bross, H. ^{[1
]}

Bohn, G. ^{[1
]}

Meister, G. ^{[1
]}

Schuboe, W. ^{[1
]}

Stoehr, H. ^{[1
]}

机构：

[1] Univ Munich, Sekt Phys, D-80539 Munich, Germany

来源：

PHYSICAL REVIEW B-SOLID STATE | 1970年 / 2卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.2.3098

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A method is presented to calculate electronic band structures for a general one-electron potential. Both the wave functions and their gradients are continuous everywhere in the crystal. As a test, calculations for paramagnetic Ni, Cu, and Al by Hanus, Burdick, and Segall, respectively, were repeated, using their muffin-tin potentials.

引用

页码：3098 / 3103

页数：6

共 18 条

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