Electronic annealing Fermi operator expansion for DFT calculations on metallic systems
Author:
Affiliation:
1. Department of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom
Funder
RCUK | Engineering and Physical Sciences Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5001340
Reference42 articles.
1. Thermal Properties of the Inhomogeneous Electron Gas
2. Recent progress with large-scaleab initio calculations: the CONQUEST code
3. IntroducingONETEP: Linear-scaling density functional simulations on parallel computers
4. Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
5. Linear-Scaling ab-initio Calculations for Large and Complex Systems
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