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The intersection of Quantum Chemistry and Quantum Computing has led to significant advancements in understanding the potential of using quantum devices for the efficient calculation of molecular energies.
The wave mechanics of an atom with a non-coulomb central field. part ii. some results and discussion
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Polynomial-time algorithms for prime factorization and discrete logarithms on a quantum computer
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A unitary multiconfigurational coupled‐cluster method: Theory and applications
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Alan Aspuru-Guzik, Anthony D. Dutoi, Peter J. Love, and Martin Head-Gordon · 2005
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U. Schollwöck · 2005
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Entanglement as measure of electron–electron correlation in quantum chemistry calculations
Zhen Huang and Sabre Kais · 2005
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Measuring orbital interaction using quantum information theory
Jörg Rissler, Reinhard M. Noack, and Steven R. White · 2006
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The construction of modified virtual orbitals (MVO’s) which are suited for configuration interaction calculations
Jr. Bauschlicher, Charles W · 2008
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Benzene dimer: High-level wave function and density functional theory calculations
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Benchmark studies of variational, unitary and extended coupled cluster methods
Bridgette Cooper and Peter J. Knowles · 2010
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Quantum Computation and Quantum Information
The Theory of Quantum Information
John Watrous · 2018
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An adaptive variational algorithm for exact molecular simulations on a quantum computer
Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, and Nicholas J. Mayhall · 2019
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Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
Jonathan Romero, Ryan Babbush, Jarrod R. McClean, Cornelius Hempel, Peter J. Love, and Alan Aspuru-Guzik · 2019
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New basis set exchange: An open, up-to-date resource for the molecular sciences community
Benjamin P. Pritchard, Doaa Altarawy, Brett Didier, Tara D. Gibson, and Theresa L. Windus · 2019
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Correlation paradox of the dissociation limit: A quantum information perspective
Lexin Ding and Christian Schilling · 2020
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Michael A. Nielsen and Isaac L. Chuang · 2010
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Quantum-information analysis of electronic states of different molecular structures
G. Barcza, Ö. Legeza, K. H. Marti, and M. Reiher · 2011
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Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better
Francesco A. Evangelista · 2011
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Simulation of electronic structure hamiltonians using quantum computers
James D. Whitfield, Jacob Biamonte, and Alan Aspuru-Guzik · 2011
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The density-matrix renormalization group in the age of matrix product states
Ulrich Schollwöck · 2011
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Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg
Brian P. Prascher, David E. Woon, Kirk A. Peterson, Thom H. Dunning, and Angela K. Wilson · 2011
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Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
Szabo Attila and Ostlund Neil S · 2012
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Mari Carmen Bañuls, Rainer Blatt, Jacopo Catani, Alessio Celi, Juan Ignacio Cirac, Marcello Dalmonte, Leonardo Fallani, Karl Jansen, Maciej Lewenstein, Simone Montangero, Christine A. Muschik, Benni Reznik, Enrique Rico, Luca Tagliacozzo, Karel Van Acoleyen, Frank Verstraete, Uwe-Jens Wiese, Matthew Wingate, Jakub Zakrzewski, and Peter Zoller · 2020
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Optimal control of traffic signals using quantum annealing
Hasham Hussain, Muhammad Bin Javaid, Faisal Shah Khan, Archismita Dalal, and Aeysha Khalique · 2020
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A domain-agnostic, noise-resistant, hardware-efficient evolutionary variational quantum eigensolver
Arthur G Rattew, Shaohan Hu, Marco Pistoia, Richard Chen, and Steve Wood · 2020
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Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
Igor O. Sokolov, Panagiotis Kl Barkoutsos, Pauline J. Ollitrault, Donny Greenberg, Julia Rice, Marco Pistoia, and Ivano Tavernelli · 2020
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Concept of orbital entanglement and correlation in quantum chemistry
Lexin Ding, Sam Mardazad, Sreetama Das, Szilárd Szalay, Ulrich Schollwöck, Zoltán Zimborás, and Christian Schilling · 2021
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Improved accuracy on noisy devices by nonunitary variational quantum eigensolver for chemistry applications
Francesco Benfenati, Guglielmo Mazzola, Chiara Capecci, Panagiotis Kl. Barkoutsos, Pauline J. Ollitrault, Ivano Tavernelli, and Leonardo Guidoni · 2021
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Qubit-adapt-vqe: An adaptive algorithm for constructing hardware-efficient ansätze on a quantum processor
Ho Lun Tang, V.O. Shkolnikov, George S. Barron, Harper R. Grimsley, Nicholas J. Mayhall, Edwin Barnes, and Sophia E. Economou · 2021
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Quantum correlations in molecules: from quantum resourcing to chemical bonding
Lexin Ding, Stefan Knecht, Zoltán Zimborás, and Christian Schilling · 2022
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Wave function adapted hamiltonians for quantum computing
Leonardo Ratini, Chiara Capecci, Francesco Benfenati, and Leonardo Guidoni · 2022
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Corresponding active orbital spaces along chemical reaction paths
Moritz Bensberg and Markus Reiher · 2023
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Quantum information-assisted complete active space optimization (QICAS)
Lexin Ding, Stefan Knecht, and Christian Schilling · 2023
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Physical chemistry of quantum information science
Tanya Zelevinsky, Artur F. Izmaylov, and Anastassia N. Alexandrova · 2023
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Convolutional neural network based decoders for surface codes
Simone Bordoni and Stefano Giagu · 2023
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A study of the pulse-based variational quantum eigensolver on cross-resonance based hardware
Daniel J. Egger, Chiara Capecci, Bibek Pokharel, Panagiotis Kl. Barkoutsos, Laurin E. Fischer, Leonardo Guidoni, and Ivano Tavernelli · 2023
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Davide Materia, Leonardo Ratini, Celestino Angeli, and Leonardo Guidoni · 2023
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Leonardo Ratini, Chiara Capecci, and Leonardo Guidoni · 2023
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Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry
Seunghoon Lee, Joonho Lee, Huanchen Zhai, Yu Tong, Alexander M. Dalzell, Ashutosh Kumar, Phillip Helms, Johnnie Gray, Zhi-Hao Cui, Wenyuan Liu, Michael Kastoryano, Ryan Babbush, John Preskill, David R. Reichman, Earl T. Campbell, Edward F. Valeev, Lin Lin, and Garnet Kin-Lic Chan · 2023
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Quantum information for quantum chemistry: Sparq, sparse quantum state analysis, in preparation
Davide Materia, Leonardo Ratini, and Leonardo Guidoni · 2024
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