Distinct Roles of the Principal Exchange-Correlation Energy and the Secondary Correlation Energy Functionals in the MGC-SDFT-UHFD Decoupling
The Kohn-Sham formalism for the density functional theory (DFT) proposed a half-century ago has been the extensive motive force for the material science community, despite it is incomplete because of its problematic notion of eternally-unknown correlation energy functional including a separated part...
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| Formato: | Capítulo de libro |
| Lenguaje: | inglés |
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IntechOpen
2023
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| Materias: | |
| Acceso en línea: | https://www.intechopen.com/chapters/87754 |
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