Large-scale electronic structure calculations using linear scaling methods

被引:0
|
作者
Galli, G [1 ]
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
来源
关键词
D O I
10.1002/(SICI)1521-3951(200001)217:1<231::AID-PSSB231>3.0.CO;2-I
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We describe linear scaling methods for electronic structure calculations and quantum molecular dynamics simulations, and discuss the basic differences and similarities between the various frameworks proposed in the literature.
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页码:231 / 249
页数:19
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