Accelerating the convergence of the total energy evaluation in density functional theory calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2821101
Reference54 articles.
1. Density Functional Theory
2. Density Functional Theory
3. Inhomogeneous Electron Gas
4. Self-Consistent Equations Including Exchange and Correlation Effects
5. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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