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Quantum Chemistry
Grand-Canonical Typicality
arXiv
Authors: Cedric Igelspacher, Roderich Tumulka, Cornelia Vogel
Year
2026
Paper ID
4160
Status
Preprint
Abstract Read
~2 min
Abstract Words
291
Citations
N/A
Abstract
We study how the grand-canonical density matrix arises in macroscopic quantum systems. "Canonical typicality" is the known statement that for a typical wave function Ψ from a micro-canonical energy shell of a quantum system S weakly coupled to a large but finite quantum system B, the reduced density matrix hatρS_Ψ=trB |Ψranglelangle Ψ| is approximately equal to the canonical density matrix hatρcan=Z-1can exp\(-βhat{H}S\). Here, we discuss the analogous statement and related questions for the grand-canonical density matrix hatρgc=Z-1gc exp\(-β(hat{H}S-μ1 hat{N}1S-ldots-μrhat{N}rS\)) with hat{N}iS the number operator for molecules of type i in the system S. This includes (i) the case of chemical reactions and (ii) that of systems S defined by a spatial region which particles may enter or leave. It includes the statements (a) that the density matrix of the appropriate (generalized micro-canonical) Hilbert subspace Hgmc subset HS otimes HB (defined by a micro-canonical interval of total energy and suitable particle number sectors), after tracing out B, yields hatρgc; (b) that typical Ψ from Hgmc have reduced density matrix hatρS_Ψ close to hatρgc; and (c) that the conditional wave function ψS of S has probability distribution GAPhatρgc if a typical orthonormal basis of HB is used. That is, we discuss the foundation and justification of both the density matrix and the distribution of the wave function in the grand-canonical case. We also extend these considerations to the so-called generalized Gibbs ensembles, which apply to systems for which some macroscopic observables are conserved.
Why This Paper Matters
- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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- We study how the grand-canonical density matrix arises in macroscopic quantum systems.
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