Application of semi-empirical molecular orbital methods to the calculation of properties of ionic crystals
Authors:
- 1 January 1975
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 37 (2) , 147-158
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Carbon Interstitial in the Diamond LatticePhysical Review B, 1973
- Molecular-Orbital Treatment for Deep Levels in Semiconductors: Substitutional Nitrogen and the Lattice Vacancy in DiamondPhysical Review B, 1973
- Tests of the CNDO method for the band structure of crystalline solids: I. Calculations on lithium fluorideJournal of Physics C: Solid State Physics, 1972
- Semiempirical Molecular-Orbital Treatment of theBand in LiF:Physical Review B, 1972
- Point defect calculations in diamond-type crystals by the extended Huckel method 1: General theory and the vacancy problemJournal of Physics C: Solid State Physics, 1971
- Calculated Properties of Metal Aggregates. I. Diatomic MoleculesThe Journal of Chemical Physics, 1971
- Molecular Orbital Approach to Chemisorption. II. Atomic H, C, N, O, and F on GraphitePhysical Review B, 1971
- A Study of the Effect of Deformation on the ESR, Luminescence, and Absorption of MgO Single CrystalsPhysica Status Solidi (b), 1969
- Electronic Spectrum and Ultraviolet Optical Properties of Crystalline MgOPhysical Review B, 1967
- Multiplet Structure of Excitons in Ionic CrystalsPhysical Review B, 1956