First-principles calculations of defect-induced lattice relaxation in ionic systems
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.43.2364/fulltext
Reference18 articles.
1. MSXα calculation of the electronic structure of Cu+ and Ag+ ions in lithium chloride single crystal
2. F-type centres and hydrogen anions in MgO: Hartree-Fock ground states
3. Electronic structure of vacancy defects in MgO crystals
4. Inhomogeneous Electron Gas
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3. Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal;Physical Review B;2001-08-22
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