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Open Quantum Systems Decoherence Quantum Simulation

One-body reduced density-matrix functional theory for the canonical ensemble

arXiv
Authors: Sarina M. Sutter, Klaas J. H. Giesbertz

Year

2022

Paper ID

59011

Status

Preprint

Abstract Read

~2 min

Abstract Words

98

Citations

N/A

Abstract

We establish one-body reduced density-matrix functional theory for the canonical ensemble in a finite basis set at an elevated temperature. Including temperature guarantees differentiability of the universal functional by occupying all states and additionally not fully occupying the states in a fermionic system. We use convexity of the universal functional and invertibility of the potential-to-1RDM map to show that the subgradient contains only one element which is equivalent to differentiability. This allows us to show that all 1RDMs with a purely fractional occupation number spectrum $0 < ni < 1 foralli$ are uniquely v-representable up to a constant.

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  • We establish one-body reduced density-matrix functional theory for the canonical ensemble in a finite basis set at an elevated temperature.

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2209.11663 [2] arXiv https://arxiv.org/abs/2209.11663 [3] Publisher https://arxiv.org/abs/2209.11663

Local Citation Graph (Related-Paper Links)

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