Ab initio electronic structure calculations using a real-space Chebyshev-filtered subspace iteration method
Author:
Funder
National Key Research and Development Program of China
National Natural Science Foundation of China
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Link
http://iopscience.iop.org/article/10.1088/1361-648X/ab2a63/pdf
Reference63 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
4. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
5. ABINIT: First-principles approach to material and nanosystem properties
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