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.

doi:10.1063/1.5085314

Title: Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations

Journal Article · Tue Apr 09 00:00:00 EDT 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5085314· OSTI ID:1610560

^[1];

^[1]

Rice Univ., Houston, TX (United States)

Our goal is to remedy the failure of symmetry-adapted coupled-cluster theory in the presence of strong correlation. Previous work along these lines has taken us from a diagram-level analysis of the coupled-cluster equations to an understanding of the collective modes which can occur in various channels of the coupled-cluster equations to the exploration of non-exponential wavefunctions in efforts to combine coupled-cluster theory with symmetry projection. In this manuscript, we extend these efforts by introducing a new, polynomial product wavefunction ansatz that incorporates information from symmetry projection into standard coupled-cluster theory in a way that attempts to mitigate the effects of the lack of size extensivity and size consistency characteristic of symmetry-projected methods. Finally, we describe the new approach in detail within the context of our previous efforts, explore some illustrative calculations, and consider one route for reducing the computational cost of the new method.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Welch Foundation; National Science Foundation (NSF)

Grant/Contract Number:: SC0001474; FG02-09ER16053; C-0036; DGE-1450681

OSTI ID:: 1610560

Alternate ID(s):: OSTI ID: 1505882

Journal Information:: Journal of Chemical Physics, Vol. 150, Issue 14; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 9 works

Citation information provided by
Web of Science

References (77)

Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method Brabec, Jiri; Lang, Jakub; Saitow, Masaaki Journal of Chemical Theory and Computation, Vol. 14, Issue 3 https://doi.org/10.1021/acs.jctc.7b01184	journal	January 2018
A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals Johnson, Paul A.; Ayers, Paul W.; Limacher, Peter A. Computational and Theoretical Chemistry, Vol. 1003 https://doi.org/10.1016/j.comptc.2012.09.030	journal	January 2013
Behind the success of modified coupled-cluster methods: addition by subtraction Rishi, Varun; Perera, Ajith; Bartlett, Rodney J. Molecular Physics, Vol. 117, Issue 17 https://doi.org/10.1080/00268976.2018.1492748	journal	July 2018
Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 144, Issue 9 https://doi.org/10.1063/1.4942770	journal	March 2016
Multireference coupled-cluster theory: The easy way Musiał, Monika; Perera, Ajith; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 134, Issue 11 https://doi.org/10.1063/1.3567115	journal	March 2011
An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations Scuseria, Gustavo E.; Janssen, Curtis L.; Schaefer, Henry F. The Journal of Chemical Physics, Vol. 89, Issue 12 https://doi.org/10.1063/1.455269	journal	December 1988
Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E. Physical Review C, Vol. 95, Issue 6 https://doi.org/10.1103/physrevc.95.064306	journal	June 2017
Correlation problems in atomic and molecular systems. V. Spin‐adapted coupled cluster many‐electron theory Paldus, Josef The Journal of Chemical Physics, Vol. 67, Issue 1 https://doi.org/10.1063/1.434526	journal	July 1977
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes Lee, Joonho; Small, David W.; Epifanovsky, Evgeny Journal of Chemical Theory and Computation, Vol. 13, Issue 2 https://doi.org/10.1021/acs.jctc.6b01092	journal	January 2017
Many – Body Methods in Chemistry and Physics Shavitt, Isaiah; Bartlett, Rodney J. https://doi.org/10.1017/CBO9780511596834	book	January 2009
Coupled Cluster Approach Cizek, J.; Paldus, J. Physica Scripta, Vol. 21, Issue 3-4 https://doi.org/10.1088/0031-8949/21/3-4/006	journal	January 1980
Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy Schriber, Jeffrey B.; Evangelista, Francesco A. The Journal of Chemical Physics, Vol. 144, Issue 16 https://doi.org/10.1063/1.4948308	journal	April 2016
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
Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators Li, Chenyang; Evangelista, Francesco A. The Journal of Chemical Physics, Vol. 144, Issue 16 https://doi.org/10.1063/1.4947218	journal	April 2016
Seniority-based coupled cluster theory Henderson, Thomas M.; Bulik, Ireneusz W.; Stein, Tamar The Journal of Chemical Physics, Vol. 141, Issue 24 https://doi.org/10.1063/1.4904384	journal	December 2014
Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 145, Issue 11 https://doi.org/10.1063/1.4963082	journal	September 2016
Single-reference coupled cluster theory for multi-reference problems Margraf, Johannes T.; Perera, Ajith; Lutz, Jesse J. The Journal of Chemical Physics, Vol. 147, Issue 18 https://doi.org/10.1063/1.5003128	journal	November 2017
Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy Bytautas, Laimutis; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A. The Journal of Chemical Physics, Vol. 135, Issue 4 https://doi.org/10.1063/1.3613706	journal	July 2011
Pair extended coupled cluster doubles Henderson, Thomas M.; Bulik, Ireneusz W.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 142, Issue 21 https://doi.org/10.1063/1.4921986	journal	June 2015
Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions Garza, Alejandro J.; Bulik, Ireneusz W.; Alencar, Ana G. Sousa Molecular Physics, Vol. 114, Issue 7-8 https://doi.org/10.1080/00268976.2015.1123315	journal	November 2015
Assessing the Accuracy of New Geminal-Based Approaches Tecmer, Paweł; Boguslawski, Katharina; Johnson, Paul A. The Journal of Physical Chemistry A, Vol. 118, Issue 39 https://doi.org/10.1021/jp502127v	journal	April 2014
Targeting excited states in all-trans polyenes with electron-pair states Boguslawski, Katharina The Journal of Chemical Physics, Vol. 145, Issue 23 https://doi.org/10.1063/1.4972053	journal	December 2016
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 quasiparticle theory for molecular electronic structure Scuseria, Gustavo E.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M. The Journal of Chemical Physics, Vol. 135, Issue 12 https://doi.org/10.1063/1.3643338	journal	September 2011
Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the Acenes Small, David W.; Lawler, Keith V.; Head-Gordon, Martin Journal of Chemical Theory and Computation, Vol. 10, Issue 5 https://doi.org/10.1021/ct500112y	journal	April 2014
Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better Evangelista, Francesco A. The Journal of Chemical Physics, Vol. 134, Issue 22 https://doi.org/10.1063/1.3598471	journal	June 2011
Can Single-Reference Coupled Cluster Theory Describe Static Correlation? Bulik, Ireneusz W.; Henderson, Thomas M.; Scuseria, Gustavo E. Journal of Chemical Theory and Computation, Vol. 11, Issue 7 https://doi.org/10.1021/acs.jctc.5b00422	journal	June 2015
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
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals Sayfutyarova, Elvira R.; Sun, Qiming; Chan, Garnet Kin-Lic Journal of Chemical Theory and Computation, Vol. 13, Issue 9 https://doi.org/10.1021/acs.jctc.7b00128	journal	August 2017
Singlet-paired coupled cluster theory for open shells Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 144, Issue 24 https://doi.org/10.1063/1.4954891	journal	June 2016
Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian Degroote, Matthias; Henderson, Thomas M.; Zhao, Jinmo Physical Review B, Vol. 93, Issue 12 https://doi.org/10.1103/physrevb.93.125124	journal	March 2016
Recoupling the singlet- and triplet-pairing channels in single-reference coupled cluster theory Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 145, Issue 13 https://doi.org/10.1063/1.4963870	journal	October 2016
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
Perspective: Multireference coupled cluster theories of dynamical electron correlation Evangelista, Francesco A. The Journal of Chemical Physics, Vol. 149, Issue 3 https://doi.org/10.1063/1.5039496	journal	July 2018
Amplitude Determinant Coupled Cluster with Pairwise Doubles Zhao, Luning; Neuscamman, Eric Journal of Chemical Theory and Computation, Vol. 12, Issue 12 https://doi.org/10.1021/acs.jctc.6b00812	journal	November 2016
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
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
Seniority zero pair coupled cluster doubles theory Stein, Tamar; Henderson, Thomas M.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 140, Issue 21 https://doi.org/10.1063/1.4880819	journal	June 2014
Influence of broken-pair excitations on the exact pair wavefunction Wahlen-Strothman, Jacob M.; Henderson, Thomas M.; Scuseria, Gustavo E. Molecular Physics, Vol. 116, Issue 2 https://doi.org/10.1080/00268976.2017.1372646	journal	September 2017
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
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock Gomez, John A.; Degroote, Matthias; Zhao, Jinmo Physical Chemistry Chemical Physics, Vol. 19, Issue 33 https://doi.org/10.1039/c7cp04075j	journal	January 2017
Localized Atomic and Molecular Orbitals Edmiston, Clyde; Ruedenberg, Klaus Reviews of Modern Physics, Vol. 35, Issue 3 https://doi.org/10.1103/revmodphys.35.457	journal	July 1963
Selection of active spaces for multiconfigurational wavefunctions Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz The Journal of Chemical Physics, Vol. 142, Issue 24 https://doi.org/10.1063/1.4922352	journal	June 2015
A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals Limacher, Peter A.; Ayers, Paul W.; Johnson, Paul A. Journal of Chemical Theory and Computation, Vol. 9, Issue 3 https://doi.org/10.1021/ct300902c	journal	February 2013
An Introduction to Coupled Cluster Theory for Computational Chemists Crawford, T. Daniel; Schaefer, Henry F.; Lipkowitz, Kenny B. Reviews in Computational Chemistry: Lipkowitz/Reviews https://doi.org/10.1002/9780470125915.ch2	book	January 2000
Exploring Copper Oxide Cores Using the Projected Hartree–Fock Method Samanta, Kousik; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. Journal of Chemical Theory and Computation, Vol. 8, Issue 12 https://doi.org/10.1021/ct300689e	journal	September 2012
Variational principles and linked-cluster exp S expansions for static and dynamic many-body problems Arponen, Jouko Annals of Physics, Vol. 151, Issue 2 https://doi.org/10.1016/0003-4916(83)90284-1	journal	December 1983
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
Efficient description of strongly correlated electrons with mean-field cost Boguslawski, Katharina; Tecmer, Paweł; Ayers, Paul W. Physical Review B, Vol. 89, Issue 20 https://doi.org/10.1103/physrevb.89.201106	journal	May 2014
Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals Garza, Alejandro J.; Sousa Alencar, Ana G.; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 143, Issue 24 https://doi.org/10.1063/1.4938088	journal	December 2015
Predicting Singlet–Triplet Energy Splittings with Projected Hartree–Fock Methods Rivero, Pablo; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. The Journal of Physical Chemistry A, Vol. 117, Issue 33 https://doi.org/10.1021/jp405755z	journal	July 2013
Tensor-structured coupled cluster theory Schutski, Roman; Zhao, Jinmo; Henderson, Thomas M. The Journal of Chemical Physics, Vol. 147, Issue 18 https://doi.org/10.1063/1.4996988	journal	November 2017
Electron correlations in narrow energy bands Hubbard, J. Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 276, Issue 1365, p. 238-257 https://doi.org/10.1098/rspa.1963.0204	journal	November 1963
On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods Čížek, Jiří The Journal of Chemical Physics, Vol. 45, Issue 11 https://doi.org/10.1063/1.1727484	journal	December 1966
Entanglement and Polyradical Character of Polycyclic Aromatic Hydrocarbons Predicted by Projected Hartree–Fock Theory Rivero, Pablo; Jiménez-Hoyos, Carlos A.; Scuseria, Gustavo E. The Journal of Physical Chemistry B, Vol. 117, Issue 42 https://doi.org/10.1021/jp401478v	journal	May 2013
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD? Rishi, Varun; Perera, Ajith; Nooijen, Marcel The Journal of Chemical Physics, Vol. 146, Issue 14 https://doi.org/10.1063/1.4979078	journal	April 2017
Cheap and Near Exact CASSCF with Large Active Spaces Smith, James E. T.; Mussard, Bastien; Holmes, Adam A. Journal of Chemical Theory and Computation, Vol. 13, Issue 11 https://doi.org/10.1021/acs.jctc.7b00900	journal	October 2017
A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications Pathak, Shubhrodeep; Lang, Lucas; Neese, Frank The Journal of Chemical Physics, Vol. 147, Issue 23 https://doi.org/10.1063/1.5017942	journal	December 2017
Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems Huntington, Lee M. J.; Hansen, Andreas; Neese, Frank The Journal of Chemical Physics, Vol. 136, Issue 6 https://doi.org/10.1063/1.3682325	journal	February 2012
pCCSD: Parameterized coupled-cluster theory with single and double excitations Huntington, Lee M. J.; Nooijen, Marcel The Journal of Chemical Physics, Vol. 133, Issue 18 https://doi.org/10.1063/1.3494113	journal	November 2010
Zur Theorie der Metalle: Erwiderung auf eine Arbeit von A. H. Wilson Peierls, R. Zeitschrift f�r Physik, Vol. 81, Issue 9-10 https://doi.org/10.1007/bf01338886	journal	September 1933
Multi-component symmetry-projected approach for molecular ground state correlations Jiménez-Hoyos, Carlos A.; Rodríguez-Guzmán, R.; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1309.4469	text	January 2013
Efficient description of strongly correlated electrons with mean-field cost Boguslawski, Katharina; Tecmer, Paweł; Ayers, Paul W. arXiv https://doi.org/10.48550/arxiv.1401.8019	text	January 2014
Quasiparticle Coupled Cluster Theory for Pairing Interactions Henderson, Thomas M.; Dukelsky, Jorge; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1403.6818	text	January 2014
Seniority-based coupled cluster theory Henderson, Thomas M.; Bulik, Ireneusz W.; Stein, Tamar arXiv https://doi.org/10.48550/arxiv.1410.6529	text	January 2014
Can single-reference coupled cluster theory describe static correlation? Bulik, Ireneusz W.; Henderson, Thomas M.; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1505.01894	text	January 2015
Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions Garza, Alejandro J.; Bulik, Ireneusz W.; Alencar, Ana G. Sousa arXiv https://doi.org/10.48550/arxiv.1509.03251	text	January 2015
Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals Garza, Alejandro J.; Alencar, Ana G. Sousa; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1510.05988	text	January 2015
Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1602.03543	text	January 2016
Bridging single- and multireference domains for electron correlation: spin-extended coupled electron pair approximation Tsuchimochi, Takashi; Ten-no, Seiichiro arXiv https://doi.org/10.48550/arxiv.1612.02945	preprint	January 2016
Automated construction of molecular active spaces from atomic valence orbitals Sayfutyarova, Elvira R.; Sun, Qiming; Chan, Garnet K. -L. arXiv https://doi.org/10.48550/arxiv.1701.07862	text	January 2017
Projected Hartree-Fock as a Polynomial of Particle-Hole Excitations and Its Combination With Variational Coupled Cluster Theory Qiu, Ethan; Henderson, Thomas M.; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1702.08578	text	January 2017
Combining symmetry collective states with coupled cluster theory: Lessons from the Agassi model Hamiltonian Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1703.02123	text	January 2017
Spin-Projected Generalized Hartree-Fock as a Polynomial of Particle-Hole Excitations Henderson, Thomas M.; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1706.01548	text	January 2017
Influence of broken-pair excitations on the exact pair wavefunction Wahlen-Strothman, Jacob M.; Henderson, Thomas M.; Scuseria, Gustavo E. arXiv https://doi.org/10.48550/arxiv.1708.05696	text	January 2017
Cheap and near exact CASSCF with large active spaces Smith, James E. T.; Holmes, Adam A.; Mussard, Bastien arXiv https://doi.org/10.48550/arxiv.1708.07544	text	January 2017
Targeting excited states in all-trans polyenes with electron-pair states Boguslawski, Katharina arXiv https://doi.org/10.48550/arxiv.1904.13122	text	January 2019

Cited By (2)

Can the distinguishable cluster approximation be improved systematically by including connected triples? Rishi, Varun; Valeev, Edward F. The Journal of Chemical Physics, Vol. 151, Issue 6 https://doi.org/10.1063/1.5097150	journal	August 2019
Energy of fermionic ground states with low-entanglement single-reference expansions, and tensor-based strong-coupling extensions of the coupled-cluster method Bergeron, Dominic Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/physrevb.101.045109	journal	January 2020

Similar Records

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:1610560

Henderson, Thomas M.; Scuseria, Gustavo E.

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

Journal Article · Sun Jan 01 00:00:00 EST 2023 · Journal of Chemical Physics · OSTI ID:1610560

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

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:1610560

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

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
chemistry
physics

Title: Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations

Citation Formats

References (77)

Cited By (2)

Similar Records

Related Subjects