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Electronic structure

T Tamura, S Ishibashi, S Tanaka, M Kohyama, M Lee, First-principles analysis of the optical properties of structural disorder in SiO2 glass, PRB 77, 085207 (2008)

Jardillier N, Goursot A, One-electron quantum capping potential for hybrid QM/MM studies of silicate molecules and solids, CPL 454, 65 (2008)

Danyliv O, Kantorovich L, Strongly localized molecular orbitals for α-quartz, JPC 16, 7233 (2004)

Ramos L E, Furthmuller J, Bechstedt F, Quasiparticle band structures and optical spectra of β-cristobalite SiO2, PRB 69, 085102 (2004)

V A Gritsenko, R M Ivanov, Yu N Morokov, Electronic structure of amorphous SiO2: Experiment and numerical simulation, JETP 81, 1208 (1995)

Di Pomponio A, Continenza A, Lozzi L, Passacantando M, Santucci S, Picozzi P, Electronic properties of crystalline and amorphous SiO2 investigated via all-electron calculations and photoemission spectroscopy, Solid State Comm 95, 313 (1995)

Binggeli N, Troullier N, Martins J L, Chelikowsky J R, Electronic properties of α-quartz under pressure, PRB 44, 4771 (1991)

R P Gupta, Electronic structure of crystalline and amorphous silicon dioxide, PRB 32, 8278 (1985)

Laughlin R B, Joannopoulos J D, Chadi D J, Bulk electronic structure of SiO2, PRB 20, 5228 (1979)