Conditional probability density functional theory

We present conditional probability (CP) density functional theory (DFT) as a formally exact theory. In essence, CP-DFT determines the ground-state energy of a system by finding the CP density from a series of independent Kohn-Sham (KS) DFT calculations. By directly calculating CP densities, we bypas...

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Veröffentlicht in:	arXiv.org 2022-06
Hauptverfasser:	Pederson, Ryan, Chen, Jielun, White, Steven R, Burke, Kieron
Format:	Artikel
Sprache:	eng
Schlagworte:	Conditional probability Density functional theory Mathematical analysis Physics - Chemical Physics
Online-Zugang:	Volltext
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