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Detailed analysis of deformation potentials with application in orbital-free density functional theory
A detailed analysis of the recently published deformation potentials for application in orbital-free density functional theory is given. Since orbital-free density functional theory is a purely density-based description of quantum mechanics, it may in the future provide itself useful in quantum crys...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Union of Crystallography
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8788845/ http://dx.doi.org/10.1107/S2052520621004686 |