Hartree-Fock cluster computations of defect and perfect ionic crystal properties
- 31 August 1985
- journal article
- Published by Elsevier in Physica B+C
- Vol. 131 (1-3) , 151-156
- https://doi.org/10.1016/0378-4363(85)90150-0
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Calculations for electronic point defects with self-consistent lattice polarisation: the F+centre in MgOJournal of Physics C: Solid State Physics, 1984
- Electronic structure and optical properties of solid methanePhysical Review B, 1983
- Pseudopotentials that work: From H to PuPhysical Review B, 1982
- Unrestricted-Hartree-Fock cluster analysis ofandcenters in some alkali halidesPhysical Review B, 1982
- Unrestricted Hartree-Fock approach to cluster calculations. II. Interaction of cluster and environmentPhysical Review B, 1978
- Empirically Determined Wave Function for the Relaxed-Excited State of theCenter in KIPhysical Review Letters, 1972
- New Method for Calculating Wave Functions in Crystals and MoleculesPhysical Review B, 1959