Shell model and embedded cluster calculations of hole bipolarons in BaTiO3
- 1 December 1995
- journal article
- Published by Taylor & Francis in Radiation Effects and Defects in Solids
- Vol. 134 (1-4) , 165-169
- https://doi.org/10.1080/10420159508227206
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Quantum chemical simulations of hole self-trapping in corundumJournal of Physics: Condensed Matter, 1992
- Paramagnetic defects in BaTiO3 and their role in light-induced charge transport ? Optical studiesApplied Physics A, 1992
- Defect studies of doped and undoped barium titanate using computer simulation techniquesJournal of Physics and Chemistry of Solids, 1986
- Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to HgThe Journal of Chemical Physics, 1985
- Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elementsJournal of the American Chemical Society, 1982
- Computer Simulation of SolidsPublished by Springer Nature ,1982
- Gaussian Basis Sets for Molecular CalculationsPublished by Springer Nature ,1977
- Theory of the Dielectric Constants of Alkali Halide CrystalsPhysical Review B, 1958