We investigate the classical and quantum metrology of performing parameter estimation with interacting trapped bosons, which we theoretically treat by a self-consistent many-body approach of the multiconfigurational Hartree type. Focusing on a tilted double-well geometry, we compare a self-consistently determined and monitored two-mode truncation, with dynamically changing orbitals, to the conventional two-mode approach of fixed orbitals, where only Fock space coefficients evolve in time. We demonstrate that, as a consequence, various metrological quantities associated to a concrete measurement such as the classical Fisher information and the maximum likelihood estimator are deeply affected by the orbitals' change during the quantum evolution. Self-consistency of the quantum many-body dynamics of interacting trapped ultracold gases thus fundamentally affects the attainable parameter estimation accuracy of a given metrological protocol.
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http://dx.doi.org/10.1103/PhysRevLett.132.240803 | DOI Listing |
J Chem Phys
August 2024
Institute for Theory of Statistical Physics, RWTH Aachen, 52056 Aachen, Germany.
The description of quantum transport in the strong system-reservoir coupling regime poses a significant theoretical and computational challenge that demands specialized tools for accurate analysis. RealTimeTransport is a new open-source C++ library that enables the computation of both stationary and transient transport observables for generic quantum systems connected to metallic reservoirs. It computes the Nakajima-Zwanzig memory kernels for both dynamics and transport in real-time, going beyond traditional expansions in the bare system-reservoir couplings.
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November 2024
International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste, Italy.
Strong/static electronic correlation mediates the emergence of remarkable phases of matter, and underlies the exceptional reactivity properties in transition metal-based catalysts. Modeling strongly correlated molecules and solids calls for multi-reference Ansätze, which explicitly capture the competition of energy scales characteristic of such systems. With the efficient computational screening of correlated solids in mind, the ghost Gutzwiller (gGut) Ansatz has been recently developed.
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November 2024
Department of Chemistry, Yale University, New Haven, CT, 06520, USA.
Dynamical mean-field theory (DMFT) and its cluster extensions provide an efficient Green's function formalism to simulate spectral properties of periodic systems at the quantum many-body level. However, traditional cluster DMFT breaks translational invariance in solid-state materials, and the best strategy to capture non-local correlation effects within cluster DMFT remains elusive. In this work, we investigate the use of overlapping atom-centered impurity fragments in recently-developed all-orbital DMFT, where all local orbitals within the impurity are treated with high-level quantum chemistry impurity solvers.
View Article and Find Full Text PDFJ Colloid Interface Sci
December 2024
Department of Physics, Banaras Hindu University, Varanasi 221 005, India. Electronic address:
We describe a theoretical framework to calculate depletion potential between colloid particles induced by non-adsorbing ideal polymer chains (s-species) and correlation functions in a coarse-grained one-component system of colloids (c-species). A Padé approximant is used to express the depletion potential as a pair potential with many-body contributions subsumed in it. The depletion potential and correlation functions of c-species are calculated using a self-consistent procedure.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
July 2024
Center for Theoretical Biological Physics, Rice University, Houston, TX 77005.
An array of motor proteins consumes chemical energy in setting up the architectures of chromosomes. Here, we explore how the structure of ideal polymer chains is influenced by two classes of motors. The first class which we call "swimming motors" acts to propel the chromatin fiber through three-dimensional space.
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