Exact Ansatz of Fermion-Boson Systems for a Quantum Device
arXiv:2402.12273 · doi:10.1103/PhysRevLett.133.080202
Abstract
We present an exact ansatz for the eigenstate problem of mixed fermion-boson systems that can be implemented on quantum devices. Based on a generalization of the electronic contracted Schrödinger equation (CSE), our approach guides a trial wave function to the ground state of any arbitrary mixed Hamiltonian by directly measuring residuals of the mixed CSE on a quantum device. Unlike density-functional and coupled-cluster theories applied to electron-phonon or electron-photon systems, the accuracy of our approach is not limited by the unknown exchange-correlation functional or the uncontrolled form of the exponential ansatz. To test the performance of the method, we study the Tavis-Cummings model, commonly used in polaritonic quantum chemistry. Our results demonstrate that the CSE is a powerful tool in the development of quantum algorithms for solving general fermion-boson many-body problems.
References in corpus (32)
- Quantum Computing
- Electron-phonon interactions from first principles
- Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
- Variational ansatz-based quantum simulation of imaginary time evolution
- Electron-phonon processes of the silicon-vacancy centre in diamond
- Resonant catalysis of thermally-activated chemical reactions via vibrational polaritons
- Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations
- Exact Parameterization of Fermionic Wave Functions via Unitary Coupled Cluster Theory
- Strongly-Correlated Electron-Photon Systems
- Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
- Is the Trotterized UCCSD Ansatz chemically well-defined?
- Intersubband Polaritons in the Electrical Dipole Gauge
- Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
- Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices
- Catalysis by Dark States in Vibropolaritonic Chemistry
- Polaritonic Coupled-Cluster Theory
- A Coherent Polariton Laser
- Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment
- Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations
- Resolving Correlated States of Benzyne on a Quantum Computer with an Error-Mitigated Quantum Contracted Eigenvalue Solver
- Effects of disorder on polaritonic and dark states in a cavity using the disordered Tavis-Cummings model
- The Vacua of Dipolar Cavity Quantum Electrodynamics
- Quantum-Classical Hybrid Algorithm for the Simulation of All-Electron Correlation
- Beyond the Tavis-Cummings model: revisiting cavity QED with atomic ensembles
- Highly confined phonon polaritons in monolayers of oxide perovskites
- Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation
- A coupled cluster framework for electrons and phonons
- Analytic Approximation of the Tavis-Cummings Ground State via Projected States
- Spectroscopic probes of quantum many-body correlations in polariton microcavities
- Exact Two-body Expansion of the Many-particle Wave Function
- Quantum simulation of excited states from parallel contracted quantum eigensolvers
- A Hybrid Quantum-Classical Method for Electron-Phonon Systems
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