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Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the Born-Oppenheimer approximation.
Max Born and Robert Oppenheimer, “Zur quantentheorie der molekeln,” Annalen der Physik 389
1927
Earlier work this paper cites.
Tosio Kato, “On the eigenfunctions of many-particle systems in quantum mechanics,” Communications on Pure and Applied Mathematics 10
1957
Earlier work this paper cites.
John C Polanyi, “Concepts in reaction dynamics,” Accounts of Chemical Research 5
1972
Earlier work this paper cites.
Richard P Feynman, “Simulating physics with computers,” International Journal of Theoretical Physics 21
1982
Earlier work this paper cites.
Leonard Kleinman and D M Bylander, “Efficacious form for model pseudopotentials,” Physical Review Letters 48
1982
Earlier work this paper cites.
R Car and M Parrinello, “Unified approach for molecular dynamics and density-functional theory,” Physical Review Letters 55
1985
Earlier work this paper cites.
Wim Klopper, “Limiting values for Møller-Plesset second-order correlation energies of polyatomic systems: A benchmark study on Ne, HF, H 2 O, N 2 , and He…He,” The Journal of Chemical Physics 102
1995
Earlier work this paper cites.
Alexei Y Kitaev, “Quantum measurements and the Abelian Stabilizer Problem,” arXiv:quant-ph/9511026 (1995)
1995
Earlier work this paper cites.
G. Makov and M. C. Payne, “Periodic boundary conditions in ab initio calculations,” Physical Review B 51
1995
Earlier work this paper cites.
Seth Lloyd, “Universal Quantum Simulators,” Science 273
1996
Earlier work this paper cites.
Laurie J Butler, “Chemical reaction dynamics beyond the Born-Oppenheimer approximation,” Annual Review of Physical Chemistry 49
1998
Earlier work this paper cites.
Trygve Helgaker, Wim Klopper, Henrik Koch, and Jozef Noga, “Basis-set convergence of correlated calculations on water,” Journal of Chemical Physics 106
1998
Earlier work this paper cites.
Asger Halkier, Trygve Helgaker, Poul Jørgensen, Wim Klopper, Henrik Koch, Jeppe Olsen, and Angela K. Wilson, “Basis-set convergence in correlated calculations on Ne, N 2 , and H 2 ,” Chemical Physics Letters 286
1998
Earlier work this paper cites.
Daniel S Abrams and Seth Lloyd, “Quantum Algorithm Providing Exponential Speed Increase for Finding Eigenvalues and Eigenvectors,” Physical Review Letters 83
1999
Earlier work this paper cites.
Glenn J. Martyna and Mark E. Tuckerman, “A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters,” The Journal of Chemical Physics 110
1999
Earlier work this paper cites.
Daniel A Lidar and Haobin Wang, “Calculating the thermal rate constant with exponential speedup on a quantum computer,” Physical Review E 59
1999
Earlier work this paper cites.
Trygve Helgaker, Poul Jørgensen, and Jeppe Olsen, Molecular Electronic-Structure Theory (John Wiley & Sons, Ltd, 2000)
2000
Earlier work this paper cites.
John C Light and Tucker Carrington Jr, “Discrete-variable representations and their utilization,” Advances in Chemical Physics 114
2000
Earlier work this paper cites.
Richard Cleve and John Watrous, “Fast parallel circuits for the quantum Fourier transform,” in Proceedings 41st Annual Symposium on Foundations of Computer Science (IEEE, 2000) pp. 526–536
2000
Earlier work this paper cites.
László Füsti-Molnar and Peter Pulay, “Accurate molecular integrals and energies using combined plane wave and Gaussian basis sets in molecular electronic structure theory,” The Journal of Chemical Physics 116
2002
Earlier work this paper cites.
Gilles Brassard, Peter Høyer, Michele Mosca, and Alain Tapp, “Quantum amplitude amplification and estimation,” in Quantum Computation and Information , edited by Vitaly I Voloshin, Samuel J. Lomonaco, and Howard E. Brandt (American Mathematical Society, Washington D.C., 2002) Chap. 3, pp. 53–74
2002
Earlier work this paper cites.
R D Somma, G Ortiz, J E Gubernatis, E Knill, and R Laflamme, “Simulating physical phenomena by quantum networks,” Physical Review A 65
2002
Earlier work this paper cites.
Richard M Martin, Electronic Structure (Cambridge University Press, Cambridge, U.K., 2004)
2004
Earlier work this paper cites.
Mario Szegedy, “Quantum Speed-Up of Markov Chain Based Algorithms,” in 45th Annual IEEE Symposium on Foundations of Computer Science (IEEE, 2004) pp. 32–41
2004
Earlier work this paper cites.
Alan Aspuru-Guzik, Anthony D Dutoi, Peter J Love, and Martin Head-Gordon, “Simulated Quantum Computation of Molecular Energies,” Science 309
2005
Earlier work this paper cites.
F Verstraete and J I Cirac, “Mapping local Hamiltonians of fermions to local Hamiltonians of spins,” Journal of Statistical Mechanics: Theory and Experiment 2005
2005
Earlier work this paper cites.
Sheng-Tzong Cheng and Chun-Yen Wang, “Quantum switching and quantum merge sorting,” IEEE Transactions on Circuits and Systems I: Regular Papers 53
2006
Earlier work this paper cites.
Carlo A Rozzi, Daniele Varsano, Andrea Marini, Eberhard K U Gross, and Angel Rubio, “Exact Coulomb cutoff technique for supercell calculations,” Physical Review B 73
2006
Earlier work this paper cites.
Sohrab Ismail-Beigi, “Truncation of periodic image interactions for confined systems,” Physical Review B 73
2006
Earlier work this paper cites.
Sergio Tosoni, Christian Tuma, Joachim Sauer, Bartolomeo Civalleri, and Piero Ugliengo, “A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case,” The Journal of Chemical Physics 127
2007
Earlier work this paper cites.
Ivan Kassal, Stephen P Jordan, Peter J Love, Masoud Mohseni, and Alan Aspuru-Guzik, “Polynomial-time quantum algorithm for the simulation of chemical dynamics,” Proceedings of the National Academy of Sciences 105
2008
Earlier work this paper cites.
Judith Harl and Georg Kresse, “Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory,” Physical Review B 77
2008
Earlier work this paper cites.
Dominik Marx and Jürg Hutter, Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Cambridge University Press, Cambridge, U.K., 2009)
2009
Earlier work this paper cites.
James D Whitfield, Jacob Biamonte, and Alan Aspuru-Guzik, “Simulation of electronic structure Hamiltonians using quantum computers,” Molecular Physics 109
2011
Earlier work this paper cites.
Christof Hättig, Wim Klopper, Andreas Köhn, and David P Tew, “Explicitly correlated electrons in molecules,” Chemical Reviews 112
2011
Earlier work this paper cites.
Jacob T Seeley, Martin J Richard, and Peter J Love, “The Bravyi-Kitaev transformation for quantum computation of electronic structure,” Journal of Chemical Physics 137
2012
Earlier work this paper cites.
N Cody Jones, James D Whitfield, Peter L McMahon, Man-Hong Yung, Rodney van Meter, Alan Aspuru-Guzik, and Yoshihisa Yamamoto, “Faster quantum chemistry simulation on fault-tolerant quantum computers,” New Journal of Physics 14
2012
Cited alongside, same era.
David R Yarkony, “Nonadiabatic quantum chemistry past, present, and future,” Chemical Reviews 112
2012
Cited alongside, same era.
Jürg Hutter, “Car–Parrinello molecular dynamics,” Wiley Interdisciplinary Reviews: Computational Molecular Science 2
2012
Cited alongside, same era.
James J Shepherd, Andreas Grüneis, George H Booth, Georg Kresse, and Ali Alavi, “Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems,” Physical Review B 86
2012
Cited alongside, same era.
Andrew M Childs and Nathan Wiebe, “Hamiltonian simulation using linear combinations of unitary operations,” Quantum Information & Computation 12
Basile F E Curchod and Todd J Martínez, “Ab initio nonadiabatic quantum molecular dynamics,” Chemical Reviews 118
2018
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2018
Later among the works it cites.
Sergio Boixo, Sergei V Isakov, Vadim N Smelyanskiy, Ryan Babbush, Nan Ding, Zhang Jiang, Michael J Bremner, John M Martinis, and Hartmut Neven, “Characterizing Quantum Supremacy in Near-Term Devices,” Nature Physics 14
2018
Later among the works it cites.
Craig Gidney, “Halving the cost of quantum addition,” Quantum 2
2018
Later among the works it cites.
Andrew M Childs, Dmitri Maslov, Yunseong Nam, Neil J Ross, and Yuan Su, “Toward the first quantum simulation with quantum speedup,” Proceedings of the National Academy of Sciences 115
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2012
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2012
Cited alongside, same era.
Roger A Horn and Charles R Johnson, Matrix analysis (Cambridge university press, 2012)
2012
Cited alongside, same era.
John Preskill, “Quantum computing and the entanglement frontier,” arXiv:1203.5813 (2012)
2012
Cited alongside, same era.
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2013
Cited alongside, same era.
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2013
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Ravishankar Sundararaman and T A Arias, “Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems,” Physical Review B 87
2013
Cited alongside, same era.
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2014
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2018
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2018
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2019
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2019
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2019
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2019
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2019
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2019
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2019
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2019
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2019
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2019
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2020
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