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Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers.
Über das Paulische Äquivalenzverbot
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A variational eigenvalue solver on a photonic quantum processor
Alberto Peruzzo, Jarrod McClean, Peter Shadbolt, Man-Hong Yung, Xiao-Qi Zhou, Peter J. Love, Alán Aspuru-Guzik, and Jeremy L. O’Brien · 2014
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Heat-bath configuration interaction: An efficient selected configuration interaction algorithm inspired by heat-bath sampling
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The theory of variational hybrid quantum-classical algorithms
Jarrod R McClean, Jonathan Romero, Ryan Babbush, and Alán Aspuru-Guzik · 2016
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Scalable quantum simulation of molecular energies
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A deterministic alternative to the full configuration interaction quantum Monte Carlo method
Norm M Tubman, Joonho Lee, Tyler Y Takeshita, Martin Head-Gordon, and K Birgitta Whaley · 2016
Efficient symmetry-preserving state preparation circuits for the variational quantum eigensolver algorithm
Bryan T. Gard, Linghua Zhu, George S. Barron, Nicholas J. Mayhall, Sophia E. Economou, and Edwin Barnes · 2020
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Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer
Junhao Li, Yuan Yao, Adam A Holmes, Matthew Otten, Qiming Sun, Sandeep Sharma, and CJ Umrigar · 2020
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Exact two-body expansion of the many-particle wave function
David A. Mazziotti · 2020
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Quantum computational chemistry
Sam McArdle and Suguru Endo · 2020
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Iterative qubit coupled cluster approach with efficient screening of generators
Ilya G Ryabinkin, Robert A Lang, Scott N Genin, and Artur F Izmaylov · 2020
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Efficient quantum circuits for quantum computational chemistry
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Excited states using semistochastic heat-bath configuration interaction
Adam A Holmes, CJ Umrigar, and Sandeep Sharma · 2017
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Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets
Abhinav Kandala, Antonio Mezzacapo, Kristan Temme, Maika Takita, Markus Brink, Jerry M. Chow, and Jay M. Gambetta · 2017
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Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions
Panagiotis Kl. Barkoutsos, Jerome F. Gonthier, Igor Sokolov, Nikolaj Moll, Gian Salis, Andreas Fuhrer, Marc Ganzhorn, Daniel J. Egger, Matthias Troyer, Antonio Mezzacapo, Stefan Filipp, and Ivano Tavernelli · 2018
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Excited states of methylene, polyenes, and ozone from heat-bath configuration interaction
Alan D Chien, Adam A Holmes, Matthew Otten, Cyrus J Umrigar, Sandeep Sharma, and Paul M Zimmerman · 2018
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On the difference between variational and unitary coupled cluster theories
Gaurav Harsha, Toru Shiozaki, and Gustavo E. Scuseria · 2018
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Generalized unitary coupled cluster wave functions for quantum computation
Joonho Lee, William J Huggins, Martin Head-Gordon, and K Birgitta Whaley · 2018
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Fast semistochastic heat-bath configuration interaction
Junhao Li, Matthew Otten, Adam A Holmes, Sandeep Sharma, and Cyrus J Umrigar · 2018
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VQE method: a short survey and recent developments
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Cost function dependent barren plateaus in shallow parametrized quantum circuits
M Cerezo, Akira Sone, Tyler Volkoff, Lukasz Cincio, and Patrick J Coles · 2041
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