An exact one-particle theory of bosonic excitations: from a generalized Hohenberg–Kohn theorem to convexified N-representability

DOI10.1088/1367-2630/ACB006zbMATH Open1510.81163arXiv2204.12715OpenAlexW4313592323WikidataQ122222268 ScholiaQ122222268MaRDI QIDQ6042393FDOQ6042393

Authors: Christian Schilling 

Publication date: 10 May 2023

Published in: New Journal of Physics (Search for Journal in Brave)

Abstract: Motivated by the Penrose-Onsager criterion for Bose-Einstein condensation we propose a functional theory for targeting low-lying excitation energies of bosonic quantum systems through the one-particle picture. For this, we employ an extension of the Rayleigh-Ritz variational principle to ensemble states with spectrum $$ and prove a corresponding generalization of the Hohenberg-Kohn theorem: The underlying one-particle reduced density matrix determines all properties of systems of $N$ identical particles in their $$-ensemble states. Then, to circumvent the $v$-representability problem common to functional theories, and to deal with energetic degeneracies, we resort to the Levy-Lieb constrained search formalism in combination with an exact convex relaxation. The corresponding bosonic one-body $$-ensemble $N$-representability problem is solved comprehensively. Remarkably, this reveals a complete hierarchy of bosonic exclusion principle constraints in conceptual analogy to Pauli's exclusion principle for fermions and recently discovered generalizations thereof.

Full work available at URL: https://arxiv.org/abs/2204.12715

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zbMATH Keywords

convex analysis\(N\)-representabilitybosonsHohenberg-Kohn theoremfunctional theoryone-particle reduced density matrix

Mathematics Subject Classification ID

Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10) Bosonic systems in quantum theory (81V73)

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Cited In (4)

• Deriving density-matrix functionals for excited states
• An effective solution to convex 1-body \(N\)-representability
• The relevant excitations for the one-body function in the Lieb–Liniger model
• Generalization of the variational principle and the Hohenberg and Kohn theorems for excited states of fermion systems

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