Concepedia

Application of molecular models to electronic structure calculations of defects in oxide crystals. I. Parametrization of the modified INDO method

Alexander L. Shluger

Theoretical Chemistry Accounts · 1985 · 83 citations · 24 references

DOI

Concepts

References

24

Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

Mark S. Gordon, J. Stephen Binkley, John A. Pople et al. · Journal of the American Chemical Society · 1982 · 2.1K citations

, , +7

Electric field gradients and charge density in corundum, α-Al<sub>2</sub>O<sub>3</sub>

Jessica B. Lewis, D. Schwarzenbach, H. D. Flack · Acta Crystallographica Section A · 1982 · 233 citations · Full text

, , +17

Correlation effects in energy-band theory

Sokrates T. Pantelides, Daniel J. Mickish, A. Barry Kunz · Physical review. B, Solid state · 1974 · 126 citations

, , +16

Electronic structure of α-Al<sub>2</sub>O<sub>3</sub>

I. P. Batra · Journal of Physics C Solid State Physics · 1982 · 108 citations

, , +17

Electronic structure and properties of magnesium oxide

Sokrates T. Pantelides, Daniel J. Mickish, A. Barry Kunz · Physical review. B, Solid state · 1974 · 104 citations

, , +17