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Emerging quantum computing algorithms for quantum chemistry

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arxiv 2109.02873 v2 pith:Q3IQ3XGL submitted 2021-09-07 quant-ph

classification quant-ph
keywords quantumalgorithmssystemscomputingelectronicemerginglimitationssimulation
verification ladder T0 review T1 audit T2 compute T3 formal
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Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed remarkable growth, notwithstanding the limitations of existing quantum hardware, especially as a tool for electronic structure computations in molecules. In this review, we provide a self-contained introduction to emerging algorithms for the simulation of Hamiltonian dynamics and eigenstates, with emphasis on their applications to the electronic structure in molecular systems. Theoretical foundations and implementation details of the method are discussed, and their strengths, limitations, and recent advances are presented.

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Cited by 1 Pith paper

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Reducing the sampling complexity of energy estimation in quantum many-body systems using empirical variance information

    quant-ph 2025-02 reject novelty 6.0 of 10

    An adaptive estimator based on empirical Bernstein stopping reduces the number of measurements needed to estimate ground-state energies with rigorous error bounds, by up to an order of magnitude in numerical benchmarks.

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