Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

出版年份 2016 全文链接

标题

作者

关键词

Finite-differences, Real-space, Fixed-point, Anderson mixing, Conjugate gradient, Electronic structure

出版物

JOURNAL OF COMPUTATIONAL PHYSICS

Volume 307, Issue -, Pages 634-652

出版商

Elsevier BV

发表日期

2015-12-19

DOI

10.1016/j.jcp.2015.12.027

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