Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
作者： Martin Fuchs , Matthias Scheffler
DOI: 10.1016/S0010-4655(98)00201-X
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摘要: … valence states need to be calculated. The core states are considered as … the valence states but only indirectly involve the core states. (ii) The valence electrons move in a pseudopoten…
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arxiv.org 参考文章(76)
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