Classically Prepared, Quantumly Evolved: Hybrid Algorithm for Molecular Spectra

Fuente: arXiv
Salvato in:
Dettagli Bibliografici
Autori principali: Santini, Alessandro, Barison, Stefano, Vicentini, Filippo
Natura: Preprint
Pubblicazione: 2025
Soggetti:
Accesso online:
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
_version_ 1866917049085722624
author Santini, Alessandro
Barison, Stefano
Vicentini, Filippo
author_facet Santini, Alessandro
Barison, Stefano
Vicentini, Filippo
contents We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed ground state with short-time quantum evolution of product states sampled from it. The resulting quantum samples define an effective subspace of the Hilbert space, onto which the Hamiltonian is projected to enable efficient classical simulation of long-time dynamics. This subspace-based approach achieves high-resolution spectral reconstruction using shallow circuits and few samples. Benchmarks on molecular systems show excellent agreement with exact diagonalization and demonstrate access to dynamical timescales beyond the reach of purely classical methods, highlighting its suitability for near-term and early fault-tolerant quantum hardware.
format Preprint
id arxiv_https___arxiv_org_abs_2510_24911
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Classically Prepared, Quantumly Evolved: Hybrid Algorithm for Molecular Spectra
Santini, Alessandro
Barison, Stefano
Vicentini, Filippo
Quantum Physics
Materials Science
Chemical Physics
Computational Physics
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed ground state with short-time quantum evolution of product states sampled from it. The resulting quantum samples define an effective subspace of the Hilbert space, onto which the Hamiltonian is projected to enable efficient classical simulation of long-time dynamics. This subspace-based approach achieves high-resolution spectral reconstruction using shallow circuits and few samples. Benchmarks on molecular systems show excellent agreement with exact diagonalization and demonstrate access to dynamical timescales beyond the reach of purely classical methods, highlighting its suitability for near-term and early fault-tolerant quantum hardware.
title Classically Prepared, Quantumly Evolved: Hybrid Algorithm for Molecular Spectra
topic Quantum Physics
Materials Science
Chemical Physics
Computational Physics
url https://arxiv.org/abs/2510.24911