CONJUGATE-GRADIENT MINIMIZATION OF THE ENERGY FUNCTIONAL - A NEW METHOD FOR ELECTRONIC-STRUCTURE CALCULATION

被引：293
作者：
STICH, I
CAR, R
PARRINELLO, M
BARONI, S
机构：
来源：
PHYSICAL REVIEW B | 1989年 / 39卷 / 08期
关键词：
D O I：
10.1103/PhysRevB.39.4997
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
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页码：4997 / 5004
页数：8
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