Machine learning universal bosonic functionals

Autor: Jonathan Schmidt, Matteo Fadel, Carlos L. Benavides-Riveros
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Physical Review Research, Vol 3, Iss 3, p L032063 (2021)
Druh dokumentu: article
ISSN: 2643-1564
DOI: 10.1103/PhysRevResearch.3.L032063
Popis: The one-body reduced density matrix γ plays a fundamental role in describing and predicting quantum features of bosonic systems, such as Bose-Einstein condensation. The recently proposed reduced density matrix functional theory for bosonic ground states establishes the existence of a universal functional F[γ] that recovers quantum correlations exactly. Based on a decomposition of γ, we have developed a method to design reliable approximations for such universal functionals: Our results suggest that for translational invariant systems the constrained search approach of functional theories can be transformed into an unconstrained problem through a parametrization of a Euclidian space. This simplification of the search approach allows us to use standard machine learning methods to perform a quite efficient computation of both F[γ] and its functional derivative. For the Bose-Hubbard model, we present a comparison between our approach and the quantum Monte Carlo method.
Databáze: Directory of Open Access Journals