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

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