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An exact ground-state density formulation in the Hohenberg–Kohn sense, implemented in practice through Kohn–Sham orbitals and approximate exchange–correlation functionals.
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Hohenberg–Kohn theory recasts the ground-state electronic problem in the density in principle; practical Kohn–Sham calculations depend on approximate exchange–correlation functionals and chosen ionic models.
The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.
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Density-functional calculations infer ground-state properties from electron density with accuracy controlled by the chosen functional and numerical model.
The target is a member or subtype of the broader source class.
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Density-functional calculations replace the many-electron wavefunction as the basic variable with the density, while practical accuracy depends on approximate functionals.
The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.
wp-chem-quantum-chemistryiupac-green-booknist-chemistry-webbookThis is an authored directed relation from the source endpoint to the target endpoint.
Hohenberg–Kohn theory gives an exact ground-state density formulation in principle; practical Kohn–Sham calculations depend on approximate exchange–correlation functionals.
The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.
wp-physics-density_functional_theorynist-atomic-wavefunctionswp-physics-atomic_hamiltoniannist-atomic-spectroscopyaps-hohenberg-kohnaps-kohn-shamEach relation below starts at this concept.
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