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Updated: Feb 15, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Witnessing eigenstates for quantum simulation of Hamiltonian spectra.
Raffaele Santagati1, Jianwei Wang1, Antonio A Gentile1
1Quantum Engineering Technology Labs, H. H. Wills Physics Laboratory and Department of Electrical and Electronic Engineering, University of Bristol, Bristol BS8 1FD, UK.
We developed a new quantum algorithm using eigenstate witnesses to efficiently calculate Hamiltonian spectra for ground and excited states. This method achieves high fidelity and precision, advancing quantum computation for chemistry and physics.
Area of Science:
- Quantum computing
- Quantum algorithms
- Computational chemistry
Background:
- Calculating Hamiltonian spectra is crucial for quantum mechanics but often intractable for classical computers.
- Existing quantum methods for eigenvalue approximation have limitations in efficiency and applicability.
Purpose of the Study:
- To introduce a novel quantum approach for efficiently calculating Hamiltonian spectra.
- To experimentally verify this protocol on a programmable quantum photonic chip.
Main Methods:
- Introduced the concept of an "eigenstate witness".
- Combined variational methods and quantum phase estimation for eigenvalue approximation.
- Experimental verification using entangled state generation, controlled unitary operations, and projective measurements on a silicon quantum photonic chip.
Main Results:
- Achieved experimental fidelities >99% for both ground and excited states.
- Estimated eigenvalues with 32 bits of precision.
- Demonstrated the protocol's performance through numerical simulations of complex Hamiltonians.
Conclusions:
- The developed quantum approach offers an efficient and high-precision method for Hamiltonian spectra calculation.
- Experimental validation on a scalable quantum photonic platform shows promising progress for quantum chemistry applications.
- The eigenstate witness concept provides a new avenue for quantum algorithm development.
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