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• W1523684041 abstract "We report on the results of calculations of the electronic structure of α-quartz that were made using the first principles, factorized linear combination of atomic orbitals method. Results were obtained for the primitive 9-atom, and orthorhombic 18- and 72-atom unit cells. Application of this method to the calculation of the electronic structure of the neutral oxygen vacancy in α-quartz is discussed and results obtained using a 72-atom unit cell are given. © 1992 John Wiley & Sons, Inc." @default.
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• W1523684041 date "1992-03-14" @default.
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• W1523684041 title "Ab initio factorizedLCAO calculation of the electronic structure of ?-SiO2" @default.
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• W1523684041 doi "https://doi.org/10.1002/qua.560440862" @default.
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