Atomic-scale computational materials science

被引：173

作者：

Hafner, J

机构：

[1] Univ Vienna, Inst Mat Phys, A-1090 Vienna, Austria

[2] Univ Vienna, Ctr Computat Mat Sci, A-1090 Vienna, Austria

来源：

ACTA MATERIALIA | 2000年 / 48卷 / 01期

关键词：

computational materials science; theory and modelling; electronic and magnetic structure;

D O I：

10.1016/S1359-6454(99)00288-8

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An overview on methodology and leading-edge applications of atomistic computational materials science based on quantum mechanical concepts is presented. (C) 2000 Acta Metallurgica Inc. Published by Elsevier Science Ltd. All rights reserved.

引用

页码：71 / 92

页数：22

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