Quantum mechanical ab-initio characterization of a simple periodic model of the silica surface
作者： B. Civalleri , S. Casassa , E. Garrone , C. Pisani , P. Ugliengo
DOI: 10.1021/JP9829187
关键词:
摘要: The electronic, structural, and vibrational properties of a thin silica film are studied by means periodic ab initio techniques, both Hartree−Fock density functional. is cut from bu...
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