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

Title
Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory
Authors
Keywords
Finite-differences, Real-space, Fixed-point, Anderson mixing, Conjugate gradient, Electronic structure
Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 307, Issue -, Pages 634-652
Publisher
Elsevier BV
Online
2015-12-19
DOI
10.1016/j.jcp.2015.12.027

Ask authors/readers for more resources

Reprint

Contact the author

Find the ideal target journal for your manuscript

Explore over 38,000 international journals covering a vast array of academic fields.

Search

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started