“MC-INDO calculations of LiF, NaC, LiC and NaF crystals”
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Condensed Matter Physics,General Chemistry
Reference17 articles.
1. Tests of the CNDO method for the band structure of crystalline solids: I. Calculations on lithium fluoride
2. Semiempirical Molecular-Orbital Treatment of theUBand in LiF:H−
3. Application of semi-empirical molecular orbital methods to the calculation of properties of ionic crystals
4. Some comments on the parametrization of the CNDO method for LiF
5. The initial protection of defects in alkali halides: F and H centre production by non-radiative decay of the self-trapped exciton
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1. Electronic structure of several polytypes of SiC: a study of band dispersion from a semi-empirical approach;Physica B: Condensed Matter;2002-11
2. Electronic band structure of 3C–SiC from extended Hückel theory;Journal of Molecular Structure: THEOCHEM;1999-05
3. Stokes shifts in TI-doped alkali halides;International Journal of Quantum Chemistry;1995-02-25
4. Cluster Models of Doped Ionic Crystal Scintillators. Quantum Calculations+;MRS Proceedings;1994
5. Stability of Transition-Metal Impurities in Ionic Fluorides from Approximate Hartree-Fock Cluster Calculations;Journal of Solid State Chemistry;1993-01
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