Ab initio calculation of the local geometry of Cu+:NaF and Cu+:NaCl
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.463683
Reference12 articles.
1. Simulation of ionic crystals: Theab initioperturbed-ion method and application to alkali hydrides and halides
2. Quantum-mechanical description of ions in crystals: Electronic structure of magnesium oxide
3. Electronic spectra and electronic structure of the Cu+ ion in alkali halides
4. Generalized Huzinaga building‐block equations for nonorthogonal electronic groups: Relation to the Adams–Gilbert theory
5. Soft Coulomb hole for the Hartree-Fock model to estimate atomic correlation energies
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