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Density-Functional Theory for Electrons Basic Theory and New Formalism /

This book provides a comprehensive overview of the current density-functional theory (DFT) for electrons in atoms and molecules, as well as a detailed review of the new formalism of the DFT. In the conventional DFT, the spatial electron distribution plays an essential role in describing the electron...

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Autor principal: Takahashi, Hideaki (Autor)
Autor corporatiu: SpringerLink (Online service)
Format: Electrònic eBook
Idioma:anglès
Publicat: Singapore : Springer Nature Singapore : Imprint: Springer, 2025.
Edició:1st ed. 2025.
Matèries:
Density functionals.
Chemistry > Data processing.
Materials science > Data processing.
Electronic structure.
Quantum chemistry > Computer programs.
Density Functional Theory.
Computational Chemistry.
Electronic Structure Calculations.
Accés en línia:https://doi.org/10.1007/978-981-95-1229-4
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Taula de continguts:
  • Wave-function theory vs Density-functional theory
  • Static Correlation
  • Foundation of the Density-Functional Theory on the Energy Electron Density
  • Functional Development for Static Correlation
  • Functional Development for Kinetic Energy
  • Summary and Perspective.

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