Research data supporting "First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond"
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下载链接：
https://www.repository.cam.ac.uk/handle/1810/262334
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资源简介：
This dataset contains the results of calculations conducted in order to study the effect of anharmonic effects on the structure of the neutral vacancy in diamond. It includes sampling of the Born-Oppenheimer surface with density functional theory, and solutions of the vibrational self-consistent field equations.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2017-02-06
