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

DOI10.1088/1367-2630/ACB006MaRDI QIDQ6042393zbMATH OpenOpenAlexWikidataFDO

Authors Christian Schilling

Publication date 10 May 2023

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

Copyright license Creative Commons Attribution 4.0 International

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

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)

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.

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Cites work

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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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