Possible improvements to the self-consistent-charges density-functional tight-binding method within the second order
Author:
Publisher
Wiley
Subject
Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/pssb.201100524/fullpdf
Reference8 articles.
1. Tight-Binding Density Functional Theory: An Approximate Kohn−Sham DFT Scheme
2. SCC-DFTB: What Is the Proper Degree of Self-Consistency?
3. DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB)
4. Simplified method for calculating the energy of weakly interacting fragments
5. Proof that∂E∂ni=εin density-functional theory
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