Fetching the paper…
Reading the bibliography…
A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-qubit mark.
P. Jordan, E. Wigner, Über das Paulische Äquivalenzverbot. Zeit. Phys 47
1928
Earlier work this paper cites.
D. Thouless, Stability conditions and nuclear rotations in the Hartree-Fock theory. Nuc. Phys 21
1960
Earlier work this paper cites.
W. J. Hehre, R. F. Stewart, J. A. Pople, Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals. J. Chem. Phys 51
1969
Earlier work this paper cites.
W. J. Hehre, R. Ditchfield, J. A. Pople, Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules. J. Chem. Phys 56
1972
Earlier work this paper cites.
B. O. Roos, P. R. Taylor, P. E. Sigbahn, A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach. Chem. Phys 48
1980
Earlier work this paper cites.
H.-J. Werner, P. J. Knowles, A second order multiconfiguration SCF procedure with optimum convergence. J. Chem. Phys 82
1985
Earlier work this paper cites.
V. Papaefthymiou, M. M. Millar, E. Muenck, Moessbauer and EPR studies of a synthetic analog for the iron-sulfur Fe 4 S 4 core of oxidized and reduced high-potential iron proteins. Inorg. Chem 25
1986
Earlier work this paper cites.
J. P. Perdew, Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 33
1986
Earlier work this paper cites.
A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38
1988
Earlier work this paper cites.
M. Head-Gordon, J. A. Pople, Optimization of wave function and geometry in the finite basis Hartree-Fock method. J. Phys. Chem 92
1988
Earlier work this paper cites.
T. H. Dunning, Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. J. Chem. Phys 90
1989
Earlier work this paper cites.
M. Reck, A. Zeilinger, H. J. Bernstein, P. Bertani, Experimental realization of any discrete unitary operator. Phys. Rev. Lett 73
1994
Earlier work this paper cites.
M. J. Rozenberg, G. Kotliar, X. Y. Zhang, Mott-Hubbard transition in infinite dimensions. II. Phys. Rev. B 49
1994
Earlier work this paper cites.
M. J. D. Powell, A Direct Search Optimization Method That Models the Objective and Constraint Functions by Linear Interpolation (Springer Netherlands, Dordrecht), pp. 51–67 (1994), doi: 10.1007/978-94-015-8330-5_4
1994
Earlier work this paper cites.
A. Georges, G. Kotliar, W. Krauth, M. J. Rozenberg, Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions. Rev. Mod. Phys. 68
1996
Earlier work this paper cites.
H. Beinert, R. H. Holm, E. Munck, Iron-sulfur clusters: nature’s modular, multipurpose structures. Science 277
1997
Earlier work this paper cites.
B. Friedman, G. Levine, Configuration-interaction approach to the two-dimensional Hubbard model near half-filling. Phys. Rev. B 55
1997
Earlier work this paper cites.
Y. Kwon, D. M. Ceperley, R. M. Martin, Effects of backflow correlation in the three-dimensional electron gas: Quantum Monte Carlo study. Phys. Rev. B 58
1998
Earlier work this paper cites.
L. Viola, S. Lloyd, Dynamical suppression of decoherence in two-state quantum systems. Phys. Rev. A 58
1998
Earlier work this paper cites.
S. R. White, R. L. Martin, Ab initio quantum chemistry using the density matrix renormalization group. J. Chem. Phys 110
1999
Earlier work this paper cites.
E. Louis, F. Guinea, M. P. López Sancho, J. A. Vergés, Configuration-interaction approach to hole pairing in the two-dimensional Hubbard model. Phys. Rev. B 59
1999
Earlier work this paper cites.
M. Imada, T. Kashima, Path-Integral Renormalization Group Method for Numerical Study of Strongly Correlated Electron Systems. J. Phys. Soc. Jpn 69
2000
Earlier work this paper cites.
J. Ivanic, K. Ruedenberg, Identification of deadwood in configuration spaces through general direct configuration interaction. Theor. Chem. Acc 106
2001
Earlier work this paper cites.
T. Kashima, M. Imada, Path-Integral Renormalization Group Method for Numerical Study on Ground States of Strongly Correlated Electronic Systems. J. Phys. Soc. Jpn 70
2001
Earlier work this paper cites.
S. Sorella, Generalized Lanczos algorithm for variational quantum Monte Carlo. Phys. Rev. B 64
2001
Earlier work this paper cites.
A. Kofman, G. Kurizki, Universal dynamical control of quantum mechanical decay: modulation of the coupling to the continuum. Phys. Rev. Lett 87
2001
Earlier work this paper cites.
T. Mizusaki, M. Imada, Extrapolation method for shell model calculations. Phys. Rev. C 65
2002
Earlier work this paper cites.
P. Venkateswara Rao, R. Holm, Synthetic analogues of the active sites of iron-sulfur proteins. Chem. Rev 104
2004
Earlier work this paper cites.
P.-D. Fan, P. Piecuch, The usefulness of exponential wave function expansions employing one-and two-body cluster operators in electronic structure theory: The extended and generalized coupled-cluster methods. Adv. Quantum Chem 51
2006
Earlier work this paper cites.
D. Zgid, M. Nooijen, The density matrix renormalization group self-consistent field method: orbital optimization with the density matrix renormalization group method in the active space. J. Chem. Phys 128
2008
Earlier work this paper cites.
F. Jorge, A. Canal Neto, G. Camiletti, S. Machado, Contracted Gaussian basis sets for Douglas-Kroll-Hess calculations: estimating scalar relativistic effects of some atomic and molecular properties. J. Chem. Phys 130
2009
Earlier work this paper cites.
M. J. Biercuk, et al. , Optimized dynamical decoupling in a model quantum memory. Nature 458
2009
Earlier work this paper cites.
W. Liu, Ideas of relativistic quantum chemistry. Mol. Phys 108
2010
Earlier work this paper cites.
G. K.-L. Chan, S. Sharma, The density matrix renormalization group in quantum chemistry. Annu. Rev. Phys. Chem 62
2011
Earlier work this paper cites.
J. Olsen, The CASSCF method: A perspective and commentary. Int. J. Quantum Chem 111
2011
Earlier work this paper cites.
Z. Li, Y. Xiao, W. Liu, On the spin separation of algebraic two-component relativistic Hamiltonians. J. Chem. Phys 137
2012
Cited alongside, same era.
F. A. Evangelista, Adaptive multiconfigurational wave functions. J. Chem. Phys 140
2014
Cited alongside, same era.
J. P. LeBlanc, et al. , Solutions of the two-dimensional Hubbard model: benchmarks and results from a wide range of numerical algorithms. Phys. Rev. X 5
2015
Cited alongside, same era.
M. B. Hastings, D. Wecker, B. Bauer, M. Troyer, Improving quantum algorithms for quantum chemistry. Quant. Info. Comput 15
2015
Cited alongside, same era.
I. W. Bulik, T. M. Henderson, G. E. Scuseria, Can single-reference coupled cluster theory describe static correlation? J. Chem. Theory Comput 11
2015
Cited alongside, same era.
V. Verteletskyi, T.-C. Yen, A. F. Izmaylov, Measurement optimization in the variational quantum eigensolver using a minimum clique cover. J. Chem. Phys 152
2020
Later among the works it cites.
Y. Matsuzawa, Y. Kurashige, Jastrow-type decomposition in quantum chemistry for low-depth quantum circuits. J. Chem. Theory Comput 16
2020
Later among the works it cites.
Q. Sun, et al. , Recent developments in the PySCF program package. J. Chem. Phys 153
2020
Later among the works it cites.
I. O. Sokolov, et al. , Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: can quantum algorithms outperform their classical equivalents? J. Chem. Phys 152
2020
Later among the works it cites.
W. Mizukami, et al. , Orbital optimized unitary coupled cluster theory for quantum computer. Phys. Rev. Research 2
2020
Later among the works it cites.
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
D. Wecker, M. B. Hastings, M. Troyer, Progress towards practical quantum variational algorithms. Phys. Rev. A 92
2015
Cited alongside, same era.
L. R. Schwarz, G. H. Booth, A. Alavi, Insights into the structure of many-electron wave functions of Mott-insulating antiferromagnets: The three-band Hubbard model in full configuration interaction quantum Monte Carlo. Phys. Rev. B 91
2015
Cited alongside, same era.
J. B. Schriber, F. A. Evangelista, Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy. J. Chem. Phys 144
2016
Cited alongside, same era.
A. A. Holmes, H. J. Changlani, C. Umrigar, Efficient heat-bath sampling in Fock space. J. Chem. Theory Comput 12
2016
Cited alongside, same era.
A. A. Holmes, N. M. Tubman, C. Umrigar, Heat-bath configuration interaction: An efficient selected configuration interaction algorithm inspired by heat-bath sampling. J. Chem. Theory Comput 12
2016
Cited alongside, same era.
N. M. Tubman, J. Lee, T. Y. Takeshita, M. Head-Gordon, K. B. Whaley, A deterministic alternative to the full configuration interaction quantum Monte Carlo method. J. Chem. Phys 145
2016
Cited alongside, same era.
W. R. Clements, P. C. Humphreys, B. J. Metcalf, W. S. Kolthammer, I. A. Walmsley, Optimal design for universal multiport interferometers. Optica 3
2016
Cited alongside, same era.
W. J. Huggins, et al. , Efficient and noise resilient measurements for quantum chemistry on near-term quantum computers. npj Quantum Inf 7
2021
Later among the works it cites.
J. Lee, et al. , Even more efficient quantum computations of chemistry through tensor hypercontraction. Phys. Rev. X Quantum 2
2021
Later among the works it cites.
M. Motta, et al. , Low rank representations for quantum simulation of electronic structure. npj Quantum Inf 7
2021
Later among the works it cites.
P. D. Nation, H. Kang, N. Sundaresan, J. M. Gambetta, Scalable mitigation of measurement errors on quantum computers. Phys. Rev. X Quantum 2
2021
Later among the works it cites.
W. J. Huggins, et al. , Unbiasing fermionic quantum Monte Carlo with a quantum computer. Nature 603
2022
Later among the works it cites.
A. Anand, et al. , A quantum computing view on unitary coupled cluster theory. Chem. Soc. Rev 51
2022
Later among the works it cites.
D. Chowdhury, A. Georges, O. Parcollet, S. Sachdev, Sachdev-Ye-Kitaev models and beyond: window into non-Fermi liquids. Rev. Mod. Phys. 94
2022
Later among the works it cites.
2022
Later among the works it cites.
S. Niu, A. Todri-Sanial, Effects of dynamical decoupling and pulse-level optimizations on IBM quantum computers. IEEE Trans. Quantum Eng 3
2022
Later among the works it cites.
M. Motta, et al. , Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor. Chem. Sci 14
2023
Later among the works it cites.
L. Zhao, et al. , Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers. npj Quantum Inf 9
2023
Later among the works it cites.
Google AI Quantum and Collaborators, Purification-based quantum error mitigation of pair-correlated electron simulations. Nat. Phys 19
2023
Later among the works it cites.
T. Weaving, A. Ralli, P. J. Love, S. Succi, P. V. Coveney, Contextual Subspace Variational Quantum Eigensolver Calculation of the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer (2023)
2023
Later among the works it cites.
2023
Later among the works it cites.
2023
Later among the works it cites.
K. Kanno, et al. , Quantum-Selected Configuration Interaction: classical diagonalization of Hamiltonians in subspaces selected by quantum computers (2023)
2023
Later among the works it cites.
Y. O. Nakagawa, M. Kamoshita, W. Mizukami, S. Sudo, Y. ya Ohnishi, ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction (2023)
2023
Later among the works it cites.
M. Motta, K. J. Sung, K. B. Whaley, M. Head-Gordon, J. Shee, Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure. Chem. Sci 14
2023
Later among the works it cites.
Y. Kim, et al. , Evidence for the utility of quantum computing before fault tolerance. Nature 618
2023
Later among the works it cites.
S. Lee, et al. , Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry. Nat. Commun 14
2023
Later among the works it cites.
C. Gauvin-Ndiaye, J. Tindall, J. R. Moreno, A. Georges, Mott Transition and Volume Law Entanglement with Neural Quantum States (2023)
2023
Later among the works it cites.
J. R. Moreno, J. Cohn, D. Sels, M. Motta, Enhancing the Expressivity of Variational Neural, and Hardware-Efficient Quantum States Through Orbital Rotations (2023)
2023
Later among the works it cites.
J. Bierman, Y. Li, J. Lu, Improving the accuracy of variational quantum eigensolvers with fewer qubits using orbital optimization. J. Chem. Theory Comput 19
2023
Later among the works it cites.
Qiskit contributors, Qiskit: An Open-source Framework for Quantum Computing (2023), doi: 10.5281/zenodo.2573505
2023
Later among the works it cites.
H. Gao, S. Imamura, A. Kasagi, E. Yoshida, Distributed Implementation of Full Configuration Interaction for One Trillion Determinants. J. Chem. Theory Comput (2024), https://doi.org/10.1021/acs.jctc.3c01190
2024
Closest in time.
The ffsim developers, ffsim: Faster simulations of fermionic quantum circuits (2024), https://github.com/qiskit-community/ffsim
2024
Closest in time.
2024
Closest in time.
C. Johnson, et al. , Qiskit addon: sample-based quantum diagonalization, https://github.com/Qiskit/qiskit-addon-sqd
2024
Closest in time.
2040
Closest in time.
S. Sharma, K. Sivalingam, F. Neese, G. K.-L. Chan, Low-Energy Spectrum of Iron-Sulfur Clusters Directly from Many-Particle Quantum Mechanics. Nat. Chem 6
2041
Closest in time.