Symmetry-projected cluster mean-field theory applied to spin systems

Papastathopoulos-Katsaros, Athanasios; Henderson, Thomas; Scuseria, Gustavo

doi:10.1063/5.0155765

Title: Symmetry-projected cluster mean-field theory applied to spin systems

Journal Article · Sun Jan 01 00:00:00 EST 2023 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0155765· OSTI ID:1989193

Papastathopoulos-Katsaros, Athanasios; Henderson, Thomas; Scuseria, Gustavo

We introduce Sz spin-projection based on cluster mean-field theory and apply it to the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is Sz symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all Sz sectors, breaking Sz symmetry. In addition, a projection scheme is used to restore global Sz , which gives rise to Sz spin-projected generalized cluster mean-field (Sz GcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J1 − J2 and XXZ Heisenberg models. Our results indicate that the new methods (GcMF and Sz GcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Rice Univ., Houston, TX (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: FG02-09ER16053; SC0001474

OSTI ID:: 1989193

Journal Information:: Journal of Chemical Physics, Vol. 159, Issue 8; ISSN 0021--9606

Country of Publication:: United States

Language:: English

References (97)

Coupled Cluster and Perturbation Theories Based on a Cluster Mean-Field Reference Applied to Strongly Correlated Spin Systems Papastathopoulos-Katsaros, Athanasios; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M. Journal of Chemical Theory and Computation, Vol. 18, Issue 7 https://doi.org/10.1021/acs.jctc.2c00338	journal	June 2022
Cluster-based mean-field and perturbative description of strongly correlated fermion systems: Application to the one- and two-dimensional Hubbard model Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. Physical Review B, Vol. 92, Issue 8 https://doi.org/10.1103/physrevb.92.085101	journal	August 2015
Discussion on The Hartree-Fock Approximation Lykos, P.; Pratt, G. W. Reviews of Modern Physics, Vol. 35, Issue 3 https://doi.org/10.1103/revmodphys.35.496	journal	July 1963
Some Studies of the General Hartree-Fock Method Löwdin, Per-Olov; Mayer, István Advances in Quantum Chemistry Volume 24, p. 79-114 https://doi.org/10.1016/s0065-3276(08)60101-x	book	January 1992
Generalized Hartree-Fock Method Valatin, J. G. Physical Review, Vol. 122, Issue 4 https://doi.org/10.1103/physrev.122.1012	journal	May 1961
Generalized Hartree–Fock Description of Molecular Dissociation Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Scuseria, Gustavo E. Journal of Chemical Theory and Computation, Vol. 7, Issue 9 https://doi.org/10.1021/ct200345a	journal	July 2011
Ab initio and semiempirical methods for molecular dynamics simulations based on general Hartree–Fock theory Hammes‐Schiffer, Sharon; Andersen, Hans C. The Journal of Chemical Physics, Vol. 99, Issue 1 https://doi.org/10.1063/1.465776	journal	July 1993
Hartree–Fock symmetry breaking around conical intersections Jake, Lena C.; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 148, Issue 2 https://doi.org/10.1063/1.5010929	journal	January 2018
Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects Löwdin, Per-Olov Physical Review, Vol. 97, Issue 6 https://doi.org/10.1103/physrev.97.1509	journal	March 1955
On the use of general symmetry-projected Hartree–Fock–Bogoliubov configurations in variational approaches to the nuclear many-body problem Schmid, K. W. Progress in Particle and Nuclear Physics, Vol. 52, Issue 2 https://doi.org/10.1016/j.ppnp.2004.02.001	journal	April 2004
Projected Hartree–Fock theory Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Tsuchimochi, Takashi The Journal of Chemical Physics, Vol. 136, Issue 16 https://doi.org/10.1063/1.4705280	journal	April 2012
Ground states of Heisenberg spin clusters from projected Hartree-Fock theory Ghassemi Tabrizi, Shadan; Jiménez-Hoyos, Carlos A. Physical Review B, Vol. 105, Issue 3 https://doi.org/10.1103/physrevb.105.035147	journal	January 2022
Half‐Projected Hartree–Fock method: History and application to excited states of the same symmetry as the ground state Ruiz, María Belén International Journal of Quantum Chemistry, Vol. 122, Issue 8 https://doi.org/10.1002/qua.26889	journal	February 2022
Spin-projected generalized Hartree-Fock method as a polynomial of particle-hole excitations Henderson, Thomas M.; Scuseria, Gustavo E. Physical Review A, Vol. 96, Issue 2 https://doi.org/10.1103/physreva.96.022506	journal	August 2017
Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories Garza, Alejandro J.; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 140, Issue 24 https://doi.org/10.1063/1.4883491	journal	June 2014
Symmetry-projected wave functions in quantum Monte Carlo calculations Shi, Hao; Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R. Physical Review B, Vol. 89, Issue 12 https://doi.org/10.1103/physrevb.89.125129	journal	March 2014
Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration Cui, Yao; Bulik, Ireneusz W.; Jiménez-Hoyos, Carlos A. The Journal of Chemical Physics, Vol. 139, Issue 15 https://doi.org/10.1063/1.4824905	journal	October 2013
Bridging Single- and Multireference Domains for Electron Correlation: Spin-Extended Coupled Electron Pair Approximation Tsuchimochi, Takashi; Ten-no, Seiichiro Journal of Chemical Theory and Computation, Vol. 13, Issue 4 https://doi.org/10.1021/acs.jctc.7b00073	journal	March 2017
Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment Tsuchimochi, Takashi; Ten-no, Seiichiro Journal of Chemical Theory and Computation, Vol. 12, Issue 4 https://doi.org/10.1021/acs.jctc.6b00137	journal	March 2016
Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures Tsuchimochi, Takashi; Ten-no, Seiichiro The Journal of Chemical Physics, Vol. 144, Issue 1 https://doi.org/10.1063/1.4939585	journal	January 2016
Moeller-Plesset perturbation theory with spin projection Schlegel, H. Bernhard The Journal of Physical Chemistry, Vol. 92, Issue 11 https://doi.org/10.1021/j100322a014	journal	June 1988
Potential energy curves using unrestricted Mo/ller–Plesset perturbation theory with spin annihilation Schlegel, H. Bernhard The Journal of Chemical Physics, Vol. 84, Issue 8 https://doi.org/10.1063/1.450026	journal	April 1986
Convergence of projected unrestricted Hartee-Fock Moeller-Plesset series. Knowles, Peter J.; Handy, Nicholas C. The Journal of Physical Chemistry, Vol. 92, Issue 11 https://doi.org/10.1021/j100322a018	journal	June 1988
Projected unrestricted Mo/ller–Plesset second-order energies Knowles, Peter J.; Handy, Nicholas C. The Journal of Chemical Physics, Vol. 88, Issue 11 https://doi.org/10.1063/1.454397	journal	June 1988
Projected coupled cluster theory Qiu, Yiheng; Henderson, Thomas M.; Zhao, Jinmo The Journal of Chemical Physics, Vol. 147, Issue 6 https://doi.org/10.1063/1.4991020	journal	August 2017
Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 146, Issue 18 https://doi.org/10.1063/1.4983065	journal	May 2017
Attenuated coupled cluster: a heuristic polynomial similarity transformation incorporating spin symmetry projection into traditional coupled cluster theory Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. Molecular Physics, Vol. 115, Issue 21-22 https://doi.org/10.1080/00268976.2017.1302610	journal	January 2017
Projected coupled cluster theory: Optimization of cluster amplitudes in the presence of symmetry projection Qiu, Yiheng; Henderson, Thomas M.; Zhao, Jinmo The Journal of Chemical Physics, Vol. 149, Issue 16 https://doi.org/10.1063/1.5053605	journal	October 2018
Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 150, Issue 14 https://doi.org/10.1063/1.5085314	journal	April 2019
Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian Wahlen-Strothman, Jacob M.; Henderson, Thomas M.; Hermes, Matthew R. The Journal of Chemical Physics, Vol. 146, Issue 5 https://doi.org/10.1063/1.4974989	journal	February 2017
Variational description of the ground state of the repulsive two-dimensional Hubbard model in terms of nonorthogonal symmetry-projected Slater determinants Rodríguez-Guzmán, R.; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. Physical Review B, Vol. 90, Issue 19 https://doi.org/10.1103/physrevb.90.195110	journal	November 2014
Potential energy curves for Mo ₂ : multi-component symmetry-projected Hartree–Fock and beyond Bytautas, Laimutis; Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R. Molecular Physics, Vol. 112, Issue 14 https://doi.org/10.1080/00268976.2013.874623	journal	January 2014
Multireference symmetry-projected variational approaches for ground and excited states of the one-dimensional Hubbard model Rodríguez-Guzmán, R.; Jiménez-Hoyos, Carlos A.; Schutski, R. Physical Review B, Vol. 87, Issue 23 https://doi.org/10.1103/physrevb.87.235129	journal	June 2013
Multi-component symmetry-projected approach for molecular ground state correlations Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 139, Issue 20 https://doi.org/10.1063/1.4832476	journal	November 2013
Multireference symmetry-projected variational approximation for the ground state of the doped one-dimensional Hubbard model Rodríguez-Guzmán, R.; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. Physical Review B, Vol. 89, Issue 19 https://doi.org/10.1103/physrevb.89.195109	journal	May 2014
Symmetry-projected variational approach for ground and excited states of the two-dimensional Hubbard model Rodríguez-Guzmán, R.; Schmid, K. W.; Jiménez-Hoyos, Carlos A. Physical Review B, Vol. 85, Issue 24 https://doi.org/10.1103/physrevb.85.245130	journal	June 2012
Block-correlated coupled cluster theory: The general formulation and its application to the antiferromagnetic Heisenberg model Li, Shuhua The Journal of Chemical Physics, Vol. 120, Issue 11 https://doi.org/10.1063/1.1646355	journal	March 2004
Describing Strong Correlation with Block-Correlated Coupled Cluster Theory Wang, Qingchun; Duan, Mingzhou; Xu, Enhua The Journal of Physical Chemistry Letters, Vol. 11, Issue 18 https://doi.org/10.1021/acs.jpclett.0c02117	journal	August 2020
Selected Configuration Interaction in a Basis of Cluster State Tensor Products Abraham, Vibin; Mayhall, Nicholas J. Journal of Chemical Theory and Computation, Vol. 16, Issue 10 https://doi.org/10.1021/acs.jctc.0c00141	journal	August 2020
Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory Knizia, Gerald; Chan, Garnet Kin-Lic Physical Review Letters, Vol. 109, Issue 18 https://doi.org/10.1103/physrevlett.109.186404	journal	November 2012
A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry Wouters, Sebastian; Jiménez-Hoyos, Carlos A.; Sun, Qiming Journal of Chemical Theory and Computation, Vol. 12, Issue 6 https://doi.org/10.1021/acs.jctc.6b00316	journal	May 2016
Communication: Active-space decomposition for molecular dimers Parker, Shane M.; Seideman, Tamar; Ratner, Mark A. The Journal of Chemical Physics, Vol. 139, Issue 2 https://doi.org/10.1063/1.4813827	journal	July 2013
Multiconfigurational Self-Consistent Field Theory with Density Matrix Embedding: The Localized Active Space Self-Consistent Field Method Hermes, Matthew R.; Gagliardi, Laura Journal of Chemical Theory and Computation, Vol. 15, Issue 2 https://doi.org/10.1021/acs.jctc.8b01009	journal	November 2018
Hierarchical mean-field approach to the $J_{1} − J_{2}$ Heisenberg model on a square lattice Isaev, L.; Ortiz, G.; Dukelsky, J. Physical Review B, Vol. 79, Issue 2 https://doi.org/10.1103/physrevb.79.024409	journal	January 2009
Ground States of Heisenberg Spin Clusters from a Cluster-Based Projected Hartree–Fock Approach Ghassemi Tabrizi, Shadan; Jiménez-Hoyos, Carlos A. Condensed Matter, Vol. 8, Issue 1 https://doi.org/10.3390/condmat8010018	journal	February 2023
Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: The formulation and test applications for single bond breaking Fang, Tao; Li, Shuhua The Journal of Chemical Physics, Vol. 127, Issue 20 https://doi.org/10.1063/1.2800027	journal	November 2007
Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics Sharma, Sandeep; Sivalingam, Kantharuban; Neese, Frank Nature Chemistry, Vol. 6, Issue 10 https://doi.org/10.1038/nchem.2041	journal	August 2014
Single‐Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain Rams, Michał; Jochim, Aleksej; Böhme, Michael Chemistry – A European Journal, Vol. 26, Issue 13 https://doi.org/10.1002/chem.201903924	journal	January 2020
An extended Heisenberg model for conjugated hydrocarbons Wu, Jian; Schmalz, T. G.; Klein, D. J. The Journal of Chemical Physics, Vol. 117, Issue 22 https://doi.org/10.1063/1.1520133	journal	December 2002
Electrides: From 1D Heisenberg Chains to 2D Pseudo-Metals ^† Dye, James L. Inorganic Chemistry, Vol. 36, Issue 18 https://doi.org/10.1021/ic970551z	journal	August 1997
Heisenberg exchange in La2CuO4 Van Oosten, A. B.; Broer, R.; Nieuwpoort, W. C. International Journal of Quantum Chemistry, Vol. 56, Issue S29 https://doi.org/10.1002/qua.560560826	journal	February 1995
Zur Theorie der Metalle: I. Eigenwerte und Eigenfunktionen der linearen Atomkette Bethe, H. Zeitschrift f�r Physik, Vol. 71, Issue 3-4 https://doi.org/10.1007/bf01341708	journal	March 1931
Ground-State Energy of a Heisenberg-Ising Lattice Yang, C. N.; Yang, C. P. Physical Review, Vol. 147, Issue 1 https://doi.org/10.1103/physrev.147.303	journal	July 1966
Phase diagram of the frustrated spin-1/2 Heisenberg antiferromagnet in 2 dimensions Dagotto, Elbio; Moreo, Adriana Physical Review Letters, Vol. 63, Issue 19 https://doi.org/10.1103/physrevlett.63.2148	journal	November 1989
Finite-Size Scaling for the Two-Dimensional Frustrated Quantum Heisenberg Antiferromagnet Schulz, H. J.; Ziman, T. A. L. Europhysics Letters (EPL), Vol. 18, Issue 4 https://doi.org/10.1209/0295-5075/18/4/013	journal	February 1992
The spin-1/2 J1–J2 Heisenberg antiferromagnet on the square lattice: Exact diagonalization for N=40 spins Richter, J.; Schulenburg, J. The European Physical Journal B, Vol. 73, Issue 1 https://doi.org/10.1140/epjb/e2009-00400-4	journal	November 2009
Spontaneous Plaquette Dimerization in the $J_{1} - J_{2}$ Heisenberg Model Capriotti, Luca; Sorella, Sandro Physical Review Letters, Vol. 84, Issue 14 https://doi.org/10.1103/physrevlett.84.3173	journal	April 2000
Plaquette valence-bond crystal in the frustrated Heisenberg quantum antiferromagnet on the square lattice Mambrini, Matthieu; Läuchli, Andreas; Poilblanc, Didier Physical Review B, Vol. 74, Issue 14 https://doi.org/10.1103/physrevb.74.144422	journal	October 2006
Magnetic Order and Disorder in the Frustrated Quantum Heisenberg Antiferromagnet in Two Dimensions Schulz, H. J.; Ziman, T. A. L.; Poilblanc, D. Journal de Physique I, Vol. 6, Issue 5 https://doi.org/10.1051/jp1:1996236	journal	May 1996
Quantum $J_{1} − J_{2}$ Antiferromagnet on a Stacked Square Lattice: Influence of the Interlayer Coupling on the Ground-State Magnetic Ordering Schmalfuß, D.; Darradi, R.; Richter, J. Physical Review Letters, Vol. 97, Issue 15 https://doi.org/10.1103/physrevlett.97.157201	journal	October 2006
Ground state phases of the spin-1/2 $J_{1} - J_{2}$ Heisenberg antiferromagnet on the square lattice: A high-order coupled cluster treatment Darradi, R.; Derzhko, O.; Zinke, R. Physical Review B, Vol. 78, Issue 21 https://doi.org/10.1103/physrevb.78.214415	journal	December 2008
Phase transitions in the spin-halfJ1−J2model Bishop, Raymond F.; Farnell, Damian J. J.; Parkinson, John B. Physical Review B, Vol. 58, Issue 10 https://doi.org/10.1103/physrevb.58.6394	journal	September 1998
The spin-1/2 square-lattice J1-J2 model: the spin-gap issue Richter, Johannes; Zinke, Ronald; Farnell, Damian J. J. The European Physical Journal B, Vol. 88, Issue 1 https://doi.org/10.1140/epjb/e2014-50589-x	journal	January 2015
High-Order Coupled Cluster Method (CCM) Calculations for Quantum Magnets with Valence-Bond Ground States Farnell, D. J. J.; Richter, J.; Zinke, R. Journal of Statistical Physics, Vol. 135, Issue 1 https://doi.org/10.1007/s10955-009-9703-7	journal	March 2009
Spin liquid ground state of the spin- $\frac{1}{2}$ square $J_{1}$ - $J_{2}$ Heisenberg model Jiang, Hong-Chen; Yao, Hong; Balents, Leon Physical Review B, Vol. 86, Issue 2 https://doi.org/10.1103/physrevb.86.024424	journal	July 2012
Plaquette Ordered Phase and Quantum Phase Diagram in the Spin- $\frac{1}{2}$ $J_{1} − J_{2}$ Square Heisenberg Model Gong, Shou-Shu; Zhu, Wei; Sheng, D. N. Physical Review Letters, Vol. 113, Issue 2 https://doi.org/10.1103/PhysRevLett.113.027201	journal	July 2014
Exploring frustrated spin systems using projected entangled pair states Murg, V.; Verstraete, F.; Cirac, J. I. Physical Review B, Vol. 79, Issue 19 https://doi.org/10.1103/physrevb.79.195119	journal	May 2009
Spin- $\frac{1}{2}$ $J_{1}$ - $J_{2}$ Heisenberg antiferromagnet on a square lattice: A plaquette renormalized tensor network study Yu, Ji-Feng; Kao, Ying-Jer Physical Review B, Vol. 85, Issue 9 https://doi.org/10.1103/physrevb.85.094407	journal	March 2012
Constructing a Gapless Spin-Liquid State for the Spin- $1 / 2$ $J_{1} - J_{2}$ Heisenberg Model on a Square Lattice Wang, Ling; Poilblanc, Didier; Gu, Zheng-Cheng Physical Review Letters, Vol. 111, Issue 3 https://doi.org/10.1103/PhysRevLett.111.037202	journal	July 2013
Resonating Valence Bond Wave Functions for Strongly Frustrated Spin Systems Capriotti, Luca; Becca, Federico; Parola, Alberto Physical Review Letters, Vol. 87, Issue 9 https://doi.org/10.1103/PhysRevLett.87.097201	journal	August 2001
Finite-size scaling of the ground-state parameters of the two-dimensional Heisenberg model Sandvik, Anders W. Physical Review B, Vol. 56, Issue 18 https://doi.org/10.1103/physrevb.56.11678	journal	November 1997
Variational determination of the two-particle reduced density matrix within the doubly occupied configuration interaction space: exploiting translational and reflection invariance Massaccesi, G. E.; Rubio-García, A.; Capuzzi, P. Journal of Statistical Mechanics: Theory and Experiment, Vol. 2021, Issue 1 https://doi.org/10.1088/1742-5468/abd940	journal	January 2021
Quantum spin- two-dimensional XXZ model: an alternative quantum renormalization-group approach de Sousa, J. Ricardo; Branco, N. S.; Boechat, B. Physica A: Statistical Mechanics and its Applications, Vol. 328, Issue 1-2 https://doi.org/10.1016/s0378-4371(03)00544-2	journal	October 2003
Two-dimensional XXZ model on a square lattice: A Monte Carlo simulation Cuccoli, Alessandro; Tognetti, Valerio; Vaia, Ruggero Physical Review B, Vol. 52, Issue 14 https://doi.org/10.1103/physrevb.52.10221	journal	October 1995
Guide to Exact Diagonalization Study of Quantum Thermalization Jung, Jung-Hoon; Noh, Jae Dong Journal of the Korean Physical Society, Vol. 76, Issue 8 https://doi.org/10.3938/jkps.76.670	journal	April 2020
Bound state dynamics in the long-range spin- 12 XXZ model Macrì, T.; Lepori, L.; Pagano, G. Physical Review B, Vol. 104, Issue 21 https://doi.org/10.1103/physrevb.104.214309	journal	December 2021
Exact-diagonalization study of the one-dimensional disorderedXXZmodel Runge, Karl J.; Zimanyi, Gergely T. Physical Review B, Vol. 49, Issue 21 https://doi.org/10.1103/physrevb.49.15212	journal	June 1994
Colorful points in the XY regime of XXZ quantum magnets Pal, Santanu; Sharma, Prakash; Changlani, Hitesh J. Physical Review B, Vol. 103, Issue 14 https://doi.org/10.1103/PhysRevB.103.144414	journal	April 2021
Exploring spin antisymmetrized geminal power Ansätze for strongly correlated spin systems Liu, Zhiyuan; Gao, Fei; Chen, Guo P. Physical Review B, Vol. 108, Issue 8 https://doi.org/10.1103/PhysRevB.108.085136	journal	August 2023
On Next‐Nearest‐Neighbor Interaction in Linear Chain. I Majumdar, Chanchal K.; Ghosh, Dipan K. Journal of Mathematical Physics, Vol. 10, Issue 8 https://doi.org/10.1063/1.1664978	journal	August 1969
Series investigations of magnetically disordered ground states in two-dimensional frustrated quantum antiferromagnets Gelfand, Martin P. Physical Review B, Vol. 42, Issue 13 https://doi.org/10.1103/physrevb.42.8206	journal	November 1990
Valence-bond crystal phase of a frustrated spin-1/2 square-lattice antiferromagnet Zhitomirsky, M. E.; Ueda, Kazuo Physical Review B, Vol. 54, Issue 13 https://doi.org/10.1103/physrevb.54.9007	journal	October 1996
NonlinearσModel Method for theJ1−J2Heisenberg Model: Disordered Ground State with Plaquette Symmetry Takano, Ken’ichi; Kito, Yoshiya; Ōno, Yoshiaki Physical Review Letters, Vol. 91, Issue 19 https://doi.org/10.1103/physrevlett.91.197202	journal	November 2003
Ising phase in theJ1−J2Heisenberg model Lante, Valeria; Parola, Alberto Physical Review B, Vol. 73, Issue 9 https://doi.org/10.1103/physrevb.73.094427	journal	March 2006
Direct evidence for a gapless $Z_{2}$ spin liquid by frustrating Néel antiferromagnetism Hu, Wen-Jun; Becca, Federico; Parola, Alberto Physical Review B, Vol. 88, Issue 6 https://doi.org/10.1103/physrevb.88.060402	journal	August 2013
Gapped spin-liquid phase in the $J_{1} - J_{2}$ Heisenberg model by a bosonic resonating valence-bond ansatz Li, Tao; Becca, Federico; Hu, Wenjun Physical Review B, Vol. 86, Issue 7 https://doi.org/10.1103/physrevb.86.075111	journal	August 2012
Dirac-Type Nodal Spin Liquid Revealed by Refined Quantum Many-Body Solver Using Neural-Network Wave Function, Correlation Ratio, and Level Spectroscopy Nomura, Yusuke; Imada, Masatoshi Physical Review X, Vol. 11, Issue 3 https://doi.org/10.1103/physrevx.11.031034	journal	August 2021
High-accuracy variational Monte Carlo for frustrated magnets with deep neural networks Roth, Christopher; Szabó, Attila; MacDonald, Allan H. Physical Review B, Vol. 108, Issue 5 https://doi.org/10.1103/PhysRevB.108.054410	journal	August 2023
On the behaviour of the UHF method near the “critical point” Mayer, I. Acta Physica Hungarica, Vol. 54, Issue 3-4 https://doi.org/10.1007/bf03053757	journal	December 1983
On incorrect behavior of single annihilation equations of spin-projected UHF and UMP energies Koga, Nobuaki; Yamashita, Koichi; Morokuma, Keiji Chemical Physics Letters, Vol. 184, Issue 4 https://doi.org/10.1016/0009-2614(91)85137-l	journal	September 1991
Constrained active space unrestricted mean-field methods for controlling spin-contamination Tsuchimochi, Takashi; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 134, Issue 6 https://doi.org/10.1063/1.3549134	journal	February 2011
The ITensor Software Library for Tensor Network Calculations Fishman, Matthew; White, Steven; Stoudenmire, Edwin SciPost Physics Codebases https://doi.org/10.21468/scipostphyscodeb.4	journal	August 2022
Orbital-invariant spin-extended approximate coupled-cluster for multi-reference systems Tsuchimochi, Takashi; Ten-no, Seiichiro L. The Journal of Chemical Physics, Vol. 149, Issue 4 https://doi.org/10.1063/1.5036542	journal	July 2018
Symmetry broken and restored coupled-cluster theory: I. Rotational symmetry and angular momentum Duguet, T. Journal of Physics G: Nuclear and Particle Physics, Vol. 42, Issue 2 https://doi.org/10.1088/0954-3899/42/2/025107	journal	December 2014
A power series approximation in symmetry projected coupled cluster theory Song, Ruiheng; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 156, Issue 10 https://doi.org/10.1063/5.0080165	journal	March 2022
Exploring non-linear correlators on AGP Khamoshi, Armin; Chen, Guo P.; Henderson, Thomas M. The Journal of Chemical Physics, Vol. 154, Issue 7 https://doi.org/10.1063/5.0039618	journal	February 2021
Correlating the antisymmetrized geminal power wave function Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 153, Issue 8 https://doi.org/10.1063/5.0021144	journal	August 2020

Similar Records

Strong-Weak Duality via Jordan-Wigner Transformation: Using Fermionic Methods for Strongly Correlated su(2) Spin Systems

Journal Article · Tue Nov 01 00:00:00 EDT 2022 · Journal of Chemical Physics · OSTI ID:1989193

Henderson, Thomas; Chen, Guo P.; Scuseria, Gustavo E.

Spin-projected generalized Hartree-Fock method as a polynomial of particle-hole excitations

Journal Article · Fri Aug 04 00:00:00 EDT 2017 · Physical Review A · OSTI ID:1989193

Henderson, Thomas M.; Scuseria, Gustavo E.

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

Journal Article · Tue Feb 07 00:00:00 EST 2017 · Journal of Chemical Physics · OSTI ID:1989193

Wahlen-Strothman, Jacob M.; Henderson, Thomas M.; Hermes, Matthew R.; +5 more

Title: Symmetry-projected cluster mean-field theory applied to spin systems

Citation Formats

References (97)

Similar Records

Related Subjects