Comparison of the Large Unit Cell and Small Periodic Cluster Approaches to the Quasimolecular Calculations of the Band Spectra of Crystals
- 1 July 1976
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 76 (1), 377-383
- https://doi.org/10.1002/pssb.2220760141
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Cluster-type calculations of electronic structures of crystals by the method of linear combinations of atomic orbitalsThe Journal of Chemical Physics, 1975
- Use of representative points of the Brillouin zone for the self‐consistent calculations of solids in the large unit cell approachPhysica Status Solidi (b), 1975
- Point defects in hexagonal boron nitride. II. Theoretical studiesPhysical Review B, 1975
- The translational symmetry in the molecular models of solidsPhysica Status Solidi (b), 1975
- The Quasi‐Molecular Large Unit Cell Model in the Theory of Deep Levels in Imperfect Crystals: Point Defects in Graphitic Boron NitridePhysica Status Solidi (b), 1974
- Molecular Cluster Approach to Small-Radius Impurity Centres in SolidsPhysica Status Solidi (b), 1974
- A molecular calculation of electronic properties of layered crystals. II. Periodic small cluster calculation for graphite and boron nitrideJournal of Physics C: Solid State Physics, 1974
- Special Points in the Brillouin ZonePhysical Review B, 1973