Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

doi:10.1103/PhysRevC.95.064306

Title: Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

Authors:: Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

Publication Date:: Fri Jun 09 00:00:00 EDT 2017

Sponsoring Org.:: USDOE

OSTI Identifier:: 1372547

Grant/Contract Number:: FG02-09ER16053

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review C

Additional Journal Information:: Journal Name: Physical Review C Journal Volume: 95 Journal Issue: 6; Journal ID: ISSN 2469-9985

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Hermes, Matthew R., Dukelsky, Jorge, and Scuseria, Gustavo E. Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevC.95.064306.

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                    Hermes, Matthew R., Dukelsky, Jorge, & Scuseria, Gustavo E. Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian.  United States.  https://doi.org/10.1103/PhysRevC.95.064306

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                    Hermes, Matthew R., Dukelsky, Jorge, and Scuseria, Gustavo E. Fri .  
"Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian".  United States.  https://doi.org/10.1103/PhysRevC.95.064306.

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@article{osti_1372547,

  title        = {Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian},

  author       = {Hermes, Matthew R. and Dukelsky, Jorge and Scuseria, Gustavo E.},

  abstractNote = {},

  doi          = {10.1103/PhysRevC.95.064306},

  journal      = {Physical Review C},

  number       = 6,

  volume       = 95,

  place        = {United States},

  year         = {Fri Jun 09 00:00:00 EDT 2017},

  month        = {Fri Jun 09 00:00:00 EDT 2017}

}

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Works referenced in this record:

On the use of general symmetry-projected Hartree–Fock–Bogoliubov configurations in variational approaches to the nuclear many-body problem
journal, April 2004

Schmid, K. W.
Progress in Particle and Nuclear Physics, Vol. 52, Issue 2
DOI: 10.1016/j.ppnp.2004.02.001

Discussion on The Hartree-Fock Approximation
journal, July 1963

Lykos, P.; Pratt, G. W.
Reviews of Modern Physics, Vol. 35, Issue 3
DOI: 10.1103/RevModPhys.35.496

Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian
journal, March 2016

Degroote, Matthias; Henderson, Thomas M.; Zhao, Jinmo
Physical Review B, Vol. 93, Issue 12
DOI: 10.1103/PhysRevB.93.125124

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
journal, February 2017

Wahlen-Strothman, Jacob M.; Henderson, Thomas M.; Hermes, Matthew R.
The Journal of Chemical Physics, Vol. 146, Issue 5
DOI: 10.1063/1.4974989

Boson mappings for schematic nuclear models with the symmetry of SO(5)
journal, July 1982

Klein, Abraham; Cohen, Thomas D.; Li, Ching-tej
Annals of Physics, Vol. 141, Issue 2
DOI: 10.1016/0003-4916(82)90294-9

Symmetry broken and restored coupled-cluster theory: I. Rotational symmetry and angular momentum
journal, December 2014

Duguet, T.
Journal of Physics G: Nuclear and Particle Physics, Vol. 42, Issue 2
DOI: 10.1088/0954-3899/42/2/025107

Validity of the BCS and RPA approximations in the pairing-plus-monopole solvable model
journal, July 1968

Agassi, Dan
Nuclear Physics A, Vol. 116, Issue 1
DOI: 10.1016/0375-9474(68)90482-X

Coupled-cluster calculations for valence systems around ${}^{16}O$
journal, August 2006

Gour, J. R.; Piecuch, P.; Hjorth-Jensen, M.
Physical Review C, Vol. 74, Issue 2
DOI: 10.1103/PhysRevC.74.024310

Bound states of a many-particle system
journal, June 1958

Coester, F.
Nuclear Physics, Vol. 7
DOI: 10.1016/0029-5582(58)90280-3

Many – Body Methods in Chemistry and Physics
book, January 2009

Shavitt, Isaiah; Bartlett, Rodney J.
DOI: 10.1017/CBO9780511596834

Pairing in the limit of a large number of particles
journal, September 1977

Richardson, R. W.
Journal of Mathematical Physics, Vol. 18, Issue 9
DOI: 10.1063/1.523493

Benchmark variational coupled cluster doubles results
journal, November 2000

Van Voorhis, Troy; Head-Gordon, Martin
The Journal of Chemical Physics, Vol. 113, Issue 20
DOI: 10.1063/1.1319643

Coupled-cluster approach to nuclear physics
journal, May 2004

Dean, D. J.; Hjorth-Jensen, M.
Physical Review C, Vol. 69, Issue 5
DOI: 10.1103/PhysRevC.69.054320

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei
journal, June 2015

Signoracci, A.; Duguet, T.; Hagen, G.
Physical Review C, Vol. 91, Issue 6
DOI: 10.1103/PhysRevC.91.064320

Symmetry Restoration in Hartree-Fock-Bogoliubov Based Theories
journal, January 2012

Bertsch, G. F.; Robledo, L. M.
Physical Review Letters, Vol. 108, Issue 4
DOI: 10.1103/PhysRevLett.108.042505

Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations
journal, September 2016

Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E.
The Journal of Chemical Physics, Vol. 145, Issue 11
DOI: 10.1063/1.4963082

Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration
journal, October 2013

Cui, Yao; Bulik, Ireneusz W.; Jiménez-Hoyos, Carlos A.
The Journal of Chemical Physics, Vol. 139, Issue 15
DOI: 10.1063/1.4824905

Validity of many-body approximation methods for a solvable model
journal, February 1965

Glick, A. J.; Lipkin, H. J.; Meshkov, N.
Nuclear Physics, Vol. 62, Issue 2
DOI: 10.1016/0029-5582(65)90864-3

A study of some approximations of the pairing force
journal, November 1961

Högaasen-Feldman, J.
Nuclear Physics, Vol. 28, Issue 1
DOI: 10.1016/0029-5582(61)91050-1

Many-fermion theory in expS- (or coupled cluster) form
journal, February 1978

Kümmel, H.; Lührmann, K. H.; Zabolitzky, J. G.
Physics Reports, Vol. 36, Issue 1
DOI: 10.1016/0370-1573(78)90081-9

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
journal, December 2006

Fan, Peng-Dong; Piecuch, Piotr
Advances in Quantum Chemistry
DOI: 10.1016/S0065-3276(06)51001-9

Projected Hartree–Fock theory
journal, April 2012

Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Tsuchimochi, Takashi
The Journal of Chemical Physics, Vol. 136, Issue 16
DOI: 10.1063/1.4705280

Structure of the number-projected BCS wave function
journal, March 2016

Dukelsky, J.; Pittel, S.; Esebbag, C.
Physical Review C, Vol. 93, Issue 3
DOI: 10.1103/PhysRevC.93.034313

Random-phase approximation and broken symmetry
journal, September 1986

Davis, E. D.; Heiss, W. D.
Journal of Physics G: Nuclear Physics, Vol. 12, Issue 9
DOI: 10.1088/0305-4616/12/9/006

Quasiparticle coupled cluster theory for pairing interactions
journal, May 2014

Henderson, Thomas M.; Scuseria, Gustavo E.; Dukelsky, Jorge
Physical Review C, Vol. 89, Issue 5
DOI: 10.1103/PhysRevC.89.054305

Large-N limit of the exactly solvable BCS model: analytics versus numerics
journal, July 2002

Román, J. M.; Sierra, G.; Dukelsky, J.
Nuclear Physics B, Vol. 634, Issue 3
DOI: 10.1016/S0550-3213(02)00317-6

Projected quasiparticle theory for molecular electronic structure
journal, September 2011

Scuseria, Gustavo E.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.
The Journal of Chemical Physics, Vol. 135, Issue 12
DOI: 10.1063/1.3643338

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
journal, December 1966

Čížek, Jiří
The Journal of Chemical Physics, Vol. 45, Issue 11
DOI: 10.1063/1.1727484

Coupled-cluster computations of atomic nuclei
journal, September 2014

Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M.
Reports on Progress in Physics, Vol. 77, Issue 9
DOI: 10.1088/0034-4885/77/9/096302

Can Single-Reference Coupled Cluster Theory Describe Static Correlation?
journal, June 2015

Bulik, Ireneusz W.; Henderson, Thomas M.; Scuseria, Gustavo E.
Journal of Chemical Theory and Computation, Vol. 11, Issue 7
DOI: 10.1021/acs.jctc.5b00422

Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory
journal, May 2017

Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E.
The Journal of Chemical Physics, Vol. 146, Issue 18
DOI: 10.1063/1.4983065

Coupled-cluster theory in quantum chemistry
journal, February 2007

Bartlett, Rodney J.; Musiał, Monika
Reviews of Modern Physics, Vol. 79, Issue 1
DOI: 10.1103/RevModPhys.79.291

Validity of many-body approximation methods for a solvable model
journal, February 1965

Meshkov, N.; Glick, A. J.; Lipkin, H. J.
Nuclear Physics, Vol. 62, Issue 2
DOI: 10.1016/0029-5582(65)90863-1

Symmetry broken and restored coupled-cluster theory: II. Global gauge symmetry and particle number
journal, December 2016

Duguet, T.; Signoracci, A.
Journal of Physics G: Nuclear and Particle Physics, Vol. 44, Issue 1
DOI: 10.1088/0954-3899/44/1/015103

Symmetry-projected Hartree–Fock–Bogoliubov equations
journal, February 2000

Sheikh, Javid A.; Ring, Peter
Nuclear Physics A, Vol. 665, Issue 1-2
DOI: 10.1016/S0375-9474(99)00424-8

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Title: Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

Citation Formats

On the use of general symmetry-projected Hartree–Fock–Bogoliubov configurations in variational approaches to the nuclear many-body problem journal, April 2004

Discussion on The Hartree-Fock Approximation journal, July 1963

Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian journal, March 2016

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian journal, February 2017

Boson mappings for schematic nuclear models with the symmetry of SO(5) journal, July 1982

Symmetry broken and restored coupled-cluster theory: I. Rotational symmetry and angular momentum journal, December 2014

Validity of the BCS and RPA approximations in the pairing-plus-monopole solvable model journal, July 1968

Coupled-cluster calculations for valence systems around O 16 journal, August 2006

Bound states of a many-particle system journal, June 1958

Many – Body Methods in Chemistry and Physics book, January 2009

Pairing in the limit of a large number of particles journal, September 1977

Benchmark variational coupled cluster doubles results journal, November 2000

Coupled-cluster approach to nuclear physics journal, May 2004

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei journal, June 2015

Symmetry Restoration in Hartree-Fock-Bogoliubov Based Theories journal, January 2012

Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations journal, September 2016

Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration journal, October 2013

Validity of many-body approximation methods for a solvable model journal, February 1965

A study of some approximations of the pairing force journal, November 1961

Many-fermion theory in expS- (or coupled cluster) form journal, February 1978

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 journal, December 2006

Projected Hartree–Fock theory journal, April 2012

Structure of the number-projected BCS wave function journal, March 2016

Random-phase approximation and broken symmetry journal, September 1986

Quasiparticle coupled cluster theory for pairing interactions journal, May 2014

Large-N limit of the exactly solvable BCS model: analytics versus numerics journal, July 2002

Projected quasiparticle theory for molecular electronic structure journal, September 2011

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods journal, December 1966

Coupled-cluster computations of atomic nuclei journal, September 2014

Can Single-Reference Coupled Cluster Theory Describe Static Correlation? journal, June 2015

Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory journal, May 2017

Coupled-cluster theory in quantum chemistry journal, February 2007

Validity of many-body approximation methods for a solvable model journal, February 1965

Symmetry broken and restored coupled-cluster theory: II. Global gauge symmetry and particle number journal, December 2016

Symmetry-projected Hartree–Fock–Bogoliubov equations journal, February 2000

On the use of general symmetry-projected Hartree–Fock–Bogoliubov configurations in variational approaches to the nuclear many-body problem
journal, April 2004

Discussion on The Hartree-Fock Approximation
journal, July 1963

Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian
journal, March 2016

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
journal, February 2017

Boson mappings for schematic nuclear models with the symmetry of SO(5)
journal, July 1982

Symmetry broken and restored coupled-cluster theory: I. Rotational symmetry and angular momentum
journal, December 2014

Validity of the BCS and RPA approximations in the pairing-plus-monopole solvable model
journal, July 1968

Coupled-cluster calculations for valence systems around ${}^{16}O$
journal, August 2006

Bound states of a many-particle system
journal, June 1958

Many – Body Methods in Chemistry and Physics
book, January 2009

Pairing in the limit of a large number of particles
journal, September 1977

Benchmark variational coupled cluster doubles results
journal, November 2000

Coupled-cluster approach to nuclear physics
journal, May 2004

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei
journal, June 2015

Symmetry Restoration in Hartree-Fock-Bogoliubov Based Theories
journal, January 2012

Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations
journal, September 2016

Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration
journal, October 2013

Validity of many-body approximation methods for a solvable model
journal, February 1965

A study of some approximations of the pairing force
journal, November 1961

Many-fermion theory in expS- (or coupled cluster) form
journal, February 1978

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
journal, December 2006

Projected Hartree–Fock theory
journal, April 2012

Structure of the number-projected BCS wave function
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Random-phase approximation and broken symmetry
journal, September 1986

Quasiparticle coupled cluster theory for pairing interactions
journal, May 2014

Large-N limit of the exactly solvable BCS model: analytics versus numerics
journal, July 2002

Projected quasiparticle theory for molecular electronic structure
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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
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journal, May 2017

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