Orbital-free quasidensity functional theory
Year: 2024
Authors: Benavides-Riveros CL.
Autors Affiliation: Univ Trento, Pitaevskii BEC Ctr, INO, CNR, I-38123 Trento, Italy; Univ Trento, Dipartimento Fis, I-38123 Trento, Italy; Max Planck Inst Phys Komplexer Syst, Nothnitzer Str 38, D-01187 Dresden, Germany.
Abstract: We develop an orbital -free functional framework to compute one -body quasiprobabilities for both fermionic and bosonic systems. Since the key variable is a quasidensity, this theory circumvents the problems of finding the Pauli potential or approximating the kinetic energy that are known to limit the applicability of standard orbitalfree density functional theory. We present a set of strategies to (a) compute the one -body Wigner quasiprobability in an orbital -free manner from the knowledge of the universal functional and (b) obtain those functionals from the functionals of the one -body reduced density matrix (1-RDM). We find that the universal functional of optical lattices results from a translation, a contraction, and a rotation of the corresponding functional of the 1-RDM, revealing the strong connection between these two functional theories. Furthermore, we relate the key concepts of Wigner negativity and v representability.
Journal/Review: PHYSICAL REVIEW RESEARCH
Volume: 6 (1) Pages from: 13060-1 to: 13060-10
More Information: I gratefully thank L. Colmenarez, J. Liebert, E. Kraisler, and J. Maki for insightful discussions and for providing important comments on the manuscript. I also thank Ana Maria Rey and the warm atmosphere of her group at JILA where this paper took its final shape. This work is funded by the European Union�s Horizon Europe Research and Innovation program under Marie Sklodowska-Curie Grant No. 101065295-RDMFTforbosons. Views and opinions expressed are however those of the author only and do not necessarily reflect those of the European Union or the European Research Executive Agency.
KeyWords: Wigner-function; Density; Energy
DOI: 10.1103/PhysRevResearch.6.013060
Citations: 2
data from “WEB OF SCIENCE” (of Thomson Reuters) are update at: 2025-07-13
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