Fetching the paper…
Reading the bibliography…
We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction suitable for implementation on a near-term quantum computer.
Čížek, J. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods. J. Chem. Phys. 1966
1966
Earlier work this paper cites.
Hehre, W. J.; Stewart, R. F.; Pople, J. A. Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals. J. Chem. Phys. 1969
1969
Earlier work this paper cites.
Choi, J. H.; Lebeda, C. F.; Messmer, R. P. Variational principle for excited states: Exact formulation and other extensions. Chem. Phys. Lett. 1970
1970
Earlier work this paper cites.
Ditchfield, R.; Hehre, W. J.; Pople, J. A. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules. J. Chem. Phys. 1971
1971
Earlier work this paper cites.
Goddard, W. A.; Dunning, T. H.; Hunt, W. J.; Hay, P. J. Generalized Valence Bond Description of Bonding in Low-Lying States of Molecules. Acc. Chem. Res. 1973
1973
Earlier work this paper cites.
Nakatsuji, H. Equation for the direct determination of the density matrix. Phys. Rev. A 1976
1976
Earlier work this paper cites.
Collins, J. B.; von R. Schleyer, P.; Binkley, J. S.; Pople, J. A. Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second‐row molecules. A comparison of three basis sets. J. Chem. Phys. 1976
1976
Earlier work this paper cites.
Dykstra, C. E. An examination of the Brueckner condition for the selection of molecular orbitals in correlated wavefunctions. Chem. Phys. Lett. 1977
1977
Earlier work this paper cites.
Čížek, J.; Paldus, J. Coupled Cluster Approach. Phys. Scr. 1980
1980
Earlier work this paper cites.
Jankowski, K.; Paldus, J. Applicability of coupled-pair theories to quasidegenerate electronic states: A model study. Int. J. Quanutm Chem. 1980
1980
Earlier work this paper cites.
Kutzelnigg, W. Quantum chemistry in Fock space. I. The universal wave and energy operators. J. Chem. Phys. 1982
1982
Earlier work this paper cites.
Kutzelnigg, W.; Koch, S. Quantum chemistry in Fock space. II. Effective Hamiltonians in Fock space. J. Chem. Phys. 1983
1983
Earlier work this paper cites.
Siegbahn, P. E. M. The externally contracted CI method applied to N 2 . Int. J. Quanutm Chem. 1983
1983
Earlier work this paper cites.
Paldus, J.; Čížek, J.; Takahashi, M. Approximate account of the connected quadruply excited clusters in the coupled-pair many-electron theory. Phys. Rev. A 1984
1984
Earlier work this paper cites.
Kutzelnigg, W. Quantum chemistry in Fock space. III. Particle‐hole formalism. J. Chem. Phys. 1984
1984
Earlier work this paper cites.
Brown, F. B.; Shavitt, I.; Shepard, R. Multireference configuration interaction treatment of potential energy surfaces: symmetric dissociation of H 2 O in a double-zeta basis. Chem. Phys. Lett. 1984
1984
Earlier work this paper cites.
Kutzelnigg, W. Quantum chemistry in Fock space. IV. The treatment of permutational symmetry. Spin‐free diagrams with symmetrized vertices. J. Chem. Phys. 1985
1985
Earlier work this paper cites.
Watts, J. D.; Trucks, G. W.; Bartlett, R. J. The unitary coupled-cluster approach and molecular properties. Applications of the UCC(4) method. Chem. Phys. Lett. 1989
1989
Earlier work this paper cites.
Bartlett, R. J.; Kucharski, S. A.; Noga, J. Alternative coupled-cluster ansätze II. The unitary coupled-cluster method. Chem. Phys. Lett. 1989
1989
Earlier work this paper cites.
Handy, N. C.; Pople, J. A.; Head-Gordon, M.; Raghavachari, K.; Trucks, G. W. Size-consistent Brueckner theory limited to double substitutions. Chem. Phys. Lett. 1989
1989
Earlier work this paper cites.
Andrews, J. S.; Jayatilaka, D.; Bone, R. G.; Handy, N. C.; Amos, R. D. Spin contamination in single-determinant wavefunctions. Chem. Phys. Lett. 1991
1991
Earlier work this paper cites.
Kutzelnigg, W. Error analysis and improvements of coupled-cluster theory. Theor. Chem. Acc. 1991
1991
Earlier work this paper cites.
Paldus, J.; Piecuch, P.; Pylypow, L.; Jeziorski, B. Application of Hilbert-space coupled-cluster theory to simple (H 2 ) 2 model systems: Planar models. Phys. Rev. A 1993
1993
Earlier work this paper cites.
Piecuch, P.; Toboła, R.; Paldus, J. Coupled-Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin-adaptedCCD +ST(CCD),CCSD +T(CCSD), andACPQ +ST(ACPQ) formalisms. Int. J. Quantum Chem. 1995
1995
Earlier work this paper cites.
Umrigar, C. J. In Quantum Monte Carlo Methods in Physics and Chemistry ; Nitingale, M. P., Umrigar, C. J., Eds.; Springer, 1998; p 129
1998
Earlier work this paper cites.
Olsen, J.; Jo/rgensen, P.; Koch, H.; Balkova, A.; Bartlett, R. J. Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions. J. Chem. Phys. 1998
1998
Earlier work this paper cites.
Li, X.; Paldus, J. Reduced multireference couple cluster method. II. Application to potential energy surfaces of HF, F 2 , and H 2 O. J. Chem. Phys. 1998
1998
Earlier work this paper cites.
Krylov, A. I.; Sherrill, C. D.; Byrd, E. F. C.; Head-Gordon, M. Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model. J. Chem. Phys. 1998
1998
Cited alongside, same era.
Mahapatra, U. S.; Datta, B.; Mukherjee, D. A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications. J. Chem. Phys. 1999
1999
Cited alongside, same era.
Nooijen, M. Can the Eigenstates of a Many-Body Hamiltonian Be Represented Exactly Using a General Two-Body Cluster Expansion? Phys. Rev. Lett. 2000
2000
Cited alongside, same era.
Nakatsuji, H. Structure of the exact wave function. J. Chem. Phys. 2000
2000
Cited alongside, same era.
Kowalski, K.; Piecuch, P. Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism. Phys. Rev. A 2000
Watson, M. A.; Chan, G. K.-L. Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment. J. Chem. Theory Comput. 2012
2012
Later among the works it cites.
Manby, F. R.; Stella, M.; Goodpaster, J. D.; Miller, T. F. A Simple, Exact Density-Functional-Theory Embedding Scheme. J. Chem. Theory Comput. 2012
2012
Later among the works it cites.
Seeley, J. T.; Richard, M. J.; Love, P. J. The Bravyi-Kitaev transformation for quantum computation of electronic structure. J. Chem. Phys. 2012
2012
Later among the works it cites.
Limacher, P. A.; Ayers, P. W.; Johnson, P. A.; De Baerdemacker, S.; Van Neck, D.; Bultinck, P. A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals. J. Chem. Theory Comput. 2013
2013
Later among the works it cites.
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
2000
Cited alongside, same era.
Van Voorhis, T.; Head-Gordon, M. Two-body coupled cluster expansions. J. Chem. Phys. 2001
2001
Cited alongside, same era.
Ortiz, G.; Gubernatis, J.; Knill, E.; Laflamme, R. Quantum algorithms for fermionic simulations. Phys. Rev. A 2001
2001
Cited alongside, same era.
Jones, E.; Oliphant, T.; Peterson, P. SciPy: Open source scientific tools for Python. 2001–; http://www.scipy.org/ , Online; accessed 08-09-18
2001
Cited alongside, same era.
Van Voorhis, T.; Head-Gordon, M. Implementation of generalized valence bond-inspired coupled cluster theories. J. Chem. Phys. 2002
2002
Cited alongside, same era.
Piecuch, P.; Kowalski, K.; Fan, P.-D.; Jedziniak, K. Exactness of Two-Body Cluster Expansions in Many-Body Quantum Theory. Phys. Rev. Lett. 2003
2003
Cited alongside, same era.
Davidson, E. R. Exactness of the General Two-Body Cluster Expansion in Many-Body Quantum Theory. Phys. Rev. Lett. 2003
2003
Cited alongside, same era.
Ronen, S. Can the Eigenstates of a Many-Body Hamiltonian Be Represented Exactly Using a General Two-Body Cluster Expansion? Phys. Rev. Lett. 2003
2003
Cited alongside, same era.
2013
Later among the works it cites.
Peruzzo, A.; McClean, J.; Shadbolt, P.; Yung, M.-H.; Zhou, X.-Q.; Love, P. J.; Aspuru-Guzik, A.; O’brien, J. L. A variational eigenvalue solver on a photonic quantum processor. Nat. Comm. 2014
2014
Later among the works it cites.
Stein, T.; Henderson, T. M.; Scuseria, G. E. Seniority zero pair coupled cluster doubles theory. J. Chem. Phys. 2014
2014
Later among the works it cites.
Wecker, D.; Hastings, M. B.; Troyer, M. Progress towards practical quantum variational algorithms. Phys. Rev. A 2015
2015
Later among the works it cites.
Shao, Y.; Gan, Z.; Epifanovsky, E.; Gilbert, A. T.; Wormit, M.; Kussmann, J.; Lange, A. W.; Behn, A.; Deng, J.; Feng, X.; Ghosh, D.; Goldey, M.; Horn, P. R.; Jacobson, L. D.; Kaliman, I.; Khaliullin, R. Z.; Kuś, T.; Landau, A.; Liu, J.; Proynov, E. I.; Rhee, Y. M.; Richard, R. M.; Rohrdanz, M. A.; Steele, R. P.; Sundstrom, E. J.; Woodcock, H. L.; Zimmerman, P. M.; Zuev, D.; Albrecht, B.; Alguire, E.; Austin, B.; Beran, G. J.; Bernard, Y. A.; Berquist, E.; Brandhorst, K.; Bravaya, K. B.; Brown, S. T.; Casanova, D.; Chang, C. M.; Chen, Y.; Chien, S. H.; Closser, K. D.; Crittenden, D. L.; Diedenhofen, M.; Distasio, R. A.; Do, H.; Dutoi, A. D.; Edgar, R. G.; Fatehi, S.; Fusti-Molnar, L.; Ghysels, A.; Golubeva-Zadorozhnaya, A.; Gomes, J.; Hanson-Heine, M. W.; Harbach, P. H.; Hauser, A. W.; Hohenstein, E. G.; Holden, Z. C.; Jagau, T. C.; Ji, H.; Kaduk, B.; Khistyaev, K.; Kim, J.; Kim, J.; King, R. A.; Klunzinger, P.; Kosenkov, D.; Kowalczyk, T.; Krauter, C. M.; Lao, K. U.; Laurent, A. D.; Lawler, K. V.; Levchenko, S. V.; Lin, C. Y.; Liu, F.; Livshits, E.; Lochan, R. C.; Luenser, A.; Manohar, P.; Manzer, S. F.; Mao, S. P.; Mardirossian, N.; Marenich, A. V.; Maurer, S. A.; Mayhall, N. J.; Neuscamman, E.; Oana, C. M.; Olivares-Amaya, R.; Oneill, D. P.; Parkhill, J. A.; Perrine, T. M.; Peverati, R.; Prociuk, A.; Rehn, D. R.; Rosta, E.; Russ, N. J.; Sharada, S. M.; Sharma, S.; Small, D. W.; Sodt, A.; Stein, T.; Stück, D.; Su, Y. C.; Thom, A. J.; Tsuchimochi, T.; Vanovschi, V.; Vogt, L.; Vydrov, O.; Wang, T.; Watson, M. A.; Wenzel, J.; White, A.; Williams, C. F.; Yang, J.; Yeganeh, S.; Yost, S. R.; You, Z. Q.; Zhang, I. Y.; Zhang, X.; Zhao, Y.; Brooks, B. R.; Chan, G. K.; Chipman, D. M.; Cramer, C. J.; Goddard, W. A.; Gordon, M. S.; Hehre, W. J.; Klamt, A.; Schaefer, H. F.; Schmidt, M. W.; Sherrill, C. D.; Truhlar, D. G.; Warshel, A.; Xu, X.; Aspuru-Guzik, A.; Baer, R.; Bell, A. T.; Besley, N. A.; Chai, J. D.; Dreuw, A.; Dunietz, B. D.; Furlani, T. R.; Gwaltney, S. R.; Hsu, C. P.; Jung, Y.; Kong, J.; Lambrecht, D. S.; Liang, W.; Ochsenfeld, C.; Rassolov, V. A.; Slipchenko, L. V.; Subotnik, J. E.; Van Voorhis, T.; Herbert, J. M.; Krylov, A. I.; Gill, P. M.; Head-Gordon, M. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Mol. Phys. 2015
2015
Later among the works it cites.
McClean, J. R.; Romero, J.; Babbush, R.; Aspuru-Guzik, A. The theory of variational hybrid quantum-classical algorithms. New J. Phys. 2016
2016
Later among the works it cites.
O’Malley, P. J. J.; Babbush, R.; Kivlichan, I. D.; Romero, J.; McClean, J. R.; Barends, R.; Kelly, J.; Roushan, P.; Tranter, A.; Ding, N.; Campbell, B.; Chen, Y.; Chen, Z.; Chiaro, B.; Dunsworth, A.; Fowler, A. G.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Neill, C.; Quintana, C.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Coveney, P. V.; Love, P. J.; Neven, H.; Aspuru-Guzik, A.; Martinis, J. M. Scalable Quantum Simulation of Molecular Energies. Phys. Rev. X 2016
2016
Later among the works it cites.
Glushkov, V. N.; Assfeld, X. Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states. Theor. Chem. Acc. 2016
2016
Later among the works it cites.
Reiher, M.; Wiebe, N.; Svore, K. M.; Wecker, D.; Troyer, M. Elucidating reaction mechanisms on quantum computers. Proc. Natl. Acad. Sci. U. S. A. 2017
2017
Later among the works it cites.
Harrow, A. W.; Montanaro, A. Quantum computational supremacy. Nature 2017
2017
Later among the works it cites.
Kandala, A.; Mezzacapo, A.; Temme, K.; Takita, M.; Brink, M.; Chow, J. M.; Gambetta, J. M. Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets. Nature 2017
2017
Later among the works it cites.
Lee, J.; Small, D. W.; Epifanovsky, E.; Head-Gordon, M. Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes. J. Chem. Theory Comput. 2017
2017
Later among the works it cites.
Shen, Y.; Zhang, X.; Zhang, S.; Zhang, J.-N.; Yung, M.-H.; Kim, K. Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure. Phys. Rev. A 2017
2017
Later among the works it cites.
McClean, J. R.; Kimchi-Schwartz, M. E.; Carter, J.; de Jong, W. A. Hybrid quantum-classical hierarchy for mitigation of decoherence and determination of excited states. Phys. Rev. A 2017
2017
Later among the works it cites.
Parrish, R. M.; Burns, L. A.; Smith, D. G. A.; Simmonett, A. C.; DePrince, A. E.; Hohenstein, E. G.; Bozkaya, U.; Sokolov, A. Y.; Di Remigio, R.; Richard, R. M.; Gonthier, J. F.; James, A. M.; McAlexander, H. R.; Kumar, A.; Saitow, M.; Wang, X.; Pritchard, B. P.; Verma, P.; Schaefer, H. F.; Patkowski, K.; King, R. A.; Valeev, E. F.; Evangelista, F. A.; Turney, J. M.; Crawford, T. D.; Sherrill, C. D. Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability. J. Chem. Theory Comput. 2017
2017
Later among the works it cites.
Boixo, S.; Isakov, S. V.; Smelyanskiy, V. N.; Babbush, R.; Ding, N.; Jiang, Z.; Bremner, M. J.; Martinis, J. M.; Neven, H. Characterizing quantum supremacy in near-term devices. Nat. Phys. 2018
2018
Closest in time.
2018
Closest in time.
Harsha, G.; Shiozaki, T.; Scuseria, G. E. On the difference between variational and unitary coupled cluster theories. J. Chem. Phys. 2018
2018
Closest in time.
Santagati, R.; Wang, J.; Gentile, A. A.; Paesani, S.; Wiebe, N.; McClean, J. R.; Morley-Short, S.; Shadbolt, P. J.; Bonneau, D.; Silverstone, J. W.; Tew, D. P.; Zhou, X.; O’Brien, J. L.; Thompson, M. G. Witnessing eigenstates for quantum simulation of Hamiltonian spectra. Sci. Adv. 2018
2018
Closest in time.
Kivlichan, I. D.; McClean, J.; Wiebe, N.; Gidney, C.; Aspuru-Guzik, A.; Chan, G. K.-L.; Babbush, R. Quantum simulation of electronic structure with linear depth and connectivity. Phys. Rev. Lett. 2018
2018
Closest in time.
Xu, E.; Uejima, M.; Ten-no, S. L. Full Coupled-Cluster Reduction for Accurate Description of Strong Electron Correlation. Phys. Rev. Lett. 2018
2018
Closest in time.
Small, D. W.; Lawler, K. V.; Head-Gordon, M. Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the Acenes. J. Chem. Theory Comput. 2014
2040
Closest in time.