Reduced Density Matrix Functional Theory for Bosons
- URL: http://arxiv.org/abs/2002.06943v1
- Date: Mon, 17 Feb 2020 13:13:50 GMT
- Title: Reduced Density Matrix Functional Theory for Bosons
- Authors: Carlos L. Benavides-Riveros, Jakob Wolff, Miguel A. L. Marques,
Christian Schilling
- Abstract summary: We propose a ground state theory for bosonic quantum systems.
The exact functionals for this $N$-boson Hubbard dimer and general Bogoliubov-approximated systems are determined.
The gradient forces are found to diverge in the regime of Bose-Einstein condensation.
- Score: 0.0
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Based on a generalization of Hohenberg-Kohn's theorem, we propose a ground
state theory for bosonic quantum systems. Since it involves the one-particle
reduced density matrix $\gamma$ as a natural variable but still recovers
quantum correlations in an exact way it is particularly well-suited for the
accurate description of Bose-Einstein condensates. As a proof of principle we
study the building block of optical lattices. The solution of the underlying
$v$-representability problem is found and its peculiar form identifies the
constrained search formalism as the ideal starting point for constructing
accurate functional approximations: The exact functionals for this $N$-boson
Hubbard dimer and general Bogoliubov-approximated systems are determined. The
respective gradient forces are found to diverge in the regime of Bose-Einstein
condensation, $\nabla_{\gamma} \mathcal{F} \propto
1/\sqrt{1-N_{\mathrm{BEC}}/N}$, providing a natural explanation for the absence
of complete BEC in nature.
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