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20112023
most citedRecent developments in the PySCF program package

1.2k citations · 4.7k across the 58 of their papers we have counts for

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quant-ph2023★ 9 cited

Impact of conditional modelling for a universal autoregressive quantum state

Massimo Bortone, Yannic Rath, George H. Booth

We present a generalized framework to adapt universal quantum state approximators, enabling them to satisfy rigorous normalization and autoregressive properties. We also introduce…

quant-ph2021★ 1.1k cited

The Variational Quantum Eigensolver: a review of methods and best practices

Jules Tilly, Hongxiang Chen, Shuxiang Cao +8

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and…

quant-ph2021★ 42 cited

A variational quantum eigensolver for dynamic correlation functions

Hongxiang Chen, Max Nusspickel, Jules Tilly +1

Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational…

quant-ph2021★ 59 cited

Reduced Density Matrix Sampling: Self-consistent Embedding and Multiscale Electronic Structure on Current Generation Quantum Computers

Jules Tilly, P. V. Sriluckshmy, Akashkumar Patel +6

We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated…

quant-ph2020★ 7 cited

Automatic Post-selection by Ancillae Thermalisation

Lewis Wright, Fergus Barratt, James Dborin +2

Tasks such as classification of data and determining the groundstate of a Hamiltonian cannot be carried out through purely unitary quantum evolution. Instead, the inherent non-unit…

quant-ph2019★ 22 cited

Controlling Arbitrary Observables in Correlated Many-body Systems

Gerard McCaul, Christopher Orthodoxou, Kurt Jacobs +2

Here we present an expanded analysis of a model for the manipulation and control of observables in a strongly correlated, many-body system, which was first presented in [McCaul et…