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SUPP. INFORMATION FOR Critical assessment of the X-ray restrained wave function approach: advantages, drawbacks and perspectives for Density Functional Theory and periodic ab initio calculations
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posted on 2024-06-20, 04:05
authored by
Alessandro Genoni
,
Angel Martin Pendas
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Categories
Chemical sciences
Keywords
Quantum Theory of Atoms in Molecules (QTAIM)
Interacting Quantum Atom (IQA) approach
DFT Delocalization Error
X-ray restrained wave fucntion (XRW) method
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CC BY-NC 4.0
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