Mapping Resonance Structures in Transient Core-Ionized Atoms
نویسندگان
چکیده
منابع مشابه
full - core atoms
Curvilinear coordinates, first introduced by F. Gygi for valence-only electronic systems within the local-density functional theory, can be used to describe both core and valence electrons in electronic-structure calculations. A simple and quite general coordinate transformation results in a large, yet affordable plane-wave energy cutoff for full-core systems (e.g., ≃ 120 Ryd for carbon or sili...
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ژورنال
عنوان ژورنال: Physical Review X
سال: 2020
ISSN: 2160-3308
DOI: 10.1103/physrevx.10.041056