A comparison of techniques for embedding defect cluster calculations
- 1 November 1987
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 72 (4) , 319-324
- https://doi.org/10.1007/bf00529036
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- The LCAO approach to the embedding problemJournal of Physics C: Solid State Physics, 1986
- Recursion, non-orthogonal basis vectors, and the computation of electronic propertiesJournal of Physics C: Solid State Physics, 1986
- An improved peripheral orbital method for calculating the electronic structure of complex systems with a localised basisJournal of Physics C: Solid State Physics, 1986
- The embedding problem in ordered and disordered systemsPhilosophical Magazine Part B, 1985
- Interaction of magnetic impurities in Cu and AgJournal of Physics F: Metal Physics, 1985
- Comparison of different approaches to the study of local defects in crystals. I. Theoretical considerations and computational schemesPhysica Status Solidi (b), 1983
- Green's-function methods for electronic-structure calculationsPhysical Review B, 1982
- New localized-orbital method for calculating the electronic structure of molecules and solids: Covalent semiconductorsPhysical Review B, 1980
- Approach to the embedding problem in chemisorption in a self-consistent-field-molecular-orbital formalismPhysical Review B, 1978
- A Note on the Quantum-Mechanical Perturbation TheoryThe Journal of Chemical Physics, 1951