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Main Authors: Filip, Maria-Andreea, Ramo, David Muñoz, Fitzpatrick, Nathan
Format: Preprint
Published: 2022
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Online Access:https://arxiv.org/abs/2211.16097
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author Filip, Maria-Andreea
Ramo, David Muñoz
Fitzpatrick, Nathan
author_facet Filip, Maria-Andreea
Ramo, David Muñoz
Fitzpatrick, Nathan
contents Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained by a quantum computer. The recently proposed Variational Quantum Phase Estimation (VQPE) algorithm uses a basis of real time-evolved states, for which the energy eigenvalues can be obtained directly from the unitary matrix U = exp(-iHt), which can be computed with cost linear in the number of states used. In this paper, we report a circuit-based implementation of VQPE for arbitrary molecular systems and assess its performance and costs for the H2, H3+ and H6 molecules. We also propose using Variational Fast Forwarding (VFF) to decrease to quantum depth of time-evolution circuits for use in VQPE. We show that the approximation provides a good basis for Hamiltonian diagonalisation even when its fidelity to the true time evolved states is low. In the high fidelity case, we show that the approximate unitary U can be diagonalised instead, preserving the linear cost of exact VQPE.
format Preprint
id arxiv_https___arxiv_org_abs_2211_16097
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Variational Phase Estimation with Variational Fast Forwarding
Filip, Maria-Andreea
Ramo, David Muñoz
Fitzpatrick, Nathan
Quantum Physics
Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained by a quantum computer. The recently proposed Variational Quantum Phase Estimation (VQPE) algorithm uses a basis of real time-evolved states, for which the energy eigenvalues can be obtained directly from the unitary matrix U = exp(-iHt), which can be computed with cost linear in the number of states used. In this paper, we report a circuit-based implementation of VQPE for arbitrary molecular systems and assess its performance and costs for the H2, H3+ and H6 molecules. We also propose using Variational Fast Forwarding (VFF) to decrease to quantum depth of time-evolution circuits for use in VQPE. We show that the approximation provides a good basis for Hamiltonian diagonalisation even when its fidelity to the true time evolved states is low. In the high fidelity case, we show that the approximate unitary U can be diagonalised instead, preserving the linear cost of exact VQPE.
title Variational Phase Estimation with Variational Fast Forwarding
topic Quantum Physics
url https://arxiv.org/abs/2211.16097