Concepedia

On the origin of the 5.0 and 7.6 eV absorption bands in oxygen deficient α-quartz and amorphous silica. A first principles quantum-chemical study

Gianfranco Pacchioni, Gianluigi Ieranò

Journal of Non-Crystalline Solids · 1997 · 32 citations · 29 references

DOI

Concepts

References

29

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

, , +15

Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules

G. Herzberg, S. Mrozowski · American Journal of Physics · 1951 · 3.8K citations

, , +4

The structure of vitreous silica

R. L. Mozzi, Β. E. Warren · Journal of Applied Crystallography · 1969 · 1.4K citations

, , +14

Individualized configuration selection in CI calculations with subsequent energy extrapolation

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1974 · 1.3K citations

, , +4