Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particleN-representability conditions

Diego R. Alcoba; Pablo Capuzzi; Alvaro Rubio-García; Jorge Dukelsky; Gustavo E. Massaccesi; Ofelia B. Oña; Alicia Torre; Luis Lain

doi:10.1063/1.5056247

Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particleN-representability conditions

The Journal of Chemical Physics ◽

10.1063/1.5056247 ◽

2018 ◽

Vol 149 (19) ◽

pp. 194105 ◽

Cited By ~ 7

Author(s):

Diego R. Alcoba ◽

Pablo Capuzzi ◽

Alvaro Rubio-García ◽

Jorge Dukelsky ◽

Gustavo E. Massaccesi ◽

...

Keyword(s):

Density Matrix ◽

Configuration Interaction ◽

Matrix Method ◽

Interaction Space ◽

Reduced Density Matrix ◽

Reduced Density

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Variational reduced density matrix method in the doubly-occupied configuration interaction space using four-particleN-representability conditions: Application to the XXZ model of quantum magnetism

The Journal of Chemical Physics ◽

10.1063/1.5118899 ◽

2019 ◽

Vol 151 (15) ◽

pp. 154104 ◽

Cited By ~ 5

Author(s):

A. Rubio-García ◽

J. Dukelsky ◽

D. R. Alcoba ◽

P. Capuzzi ◽

O. B. Oña ◽

...

Keyword(s):

Density Matrix ◽

Configuration Interaction ◽

Matrix Method ◽

Interaction Space ◽

Reduced Density Matrix ◽

Quantum Magnetism ◽

Xxz Model ◽

Reduced Density

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Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00387 ◽

2018 ◽

Vol 14 (8) ◽

pp. 4183-4192 ◽

Cited By ~ 7

Author(s):

A. Rubio-García ◽

D. R. Alcoba ◽

P. Capuzzi ◽

J. Dukelsky

Keyword(s):

Density Matrix ◽

Configuration Interaction ◽

Matrix Theory ◽

Interaction Space ◽

Reduced Density Matrix ◽

Reduced Density ◽

Density Matrix Theory

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Incorporating dynamic correlation into the variational determination method of the second‐order reduced density matrix in the doubly occupied configuration interaction space

International Journal of Quantum Chemistry ◽

10.1002/qua.26256 ◽

2020 ◽

Vol 120 (15) ◽

Cited By ~ 3

Author(s):

Diego R. Alcoba ◽

Alicia Torre ◽

Luis Lain ◽

Ofelia B. Oña ◽

Elías Ríos ◽

...

Keyword(s):

Density Matrix ◽

Configuration Interaction ◽

Interaction Space ◽

Second Order ◽

Reduced Density Matrix ◽

Determination Method ◽

Dynamic Correlation ◽

Reduced Density

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Variational determination of the two-particle reduced density matrix within the doubly occupied configuration interaction space: exploiting translational and reflection invariance

Journal of Statistical Mechanics Theory and Experiment ◽

10.1088/1742-5468/abd940 ◽

2021 ◽

Vol 2021 (1) ◽

pp. 013110

Author(s):

G E Massaccesi ◽

A Rubio-García ◽

P Capuzzi ◽

E Ríos ◽

O B Oña ◽

...

Keyword(s):

Density Matrix ◽

Configuration Interaction ◽

Interaction Space ◽

Reduced Density Matrix ◽

Reduced Density

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Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix method

The Journal of Chemical Physics ◽

10.1063/1.4811202 ◽

2013 ◽

Vol 138 (24) ◽

pp. 244102 ◽

Cited By ~ 7

Author(s):

Andrew M. Sand ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Molecular Orbital ◽

Ground State ◽

Matrix Method ◽

Reduced Density Matrix ◽

Reduced Density ◽

Ground State Energies

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Unraveling the Band Gap Trend in the Narrowest Graphene Nanoribbons from the Spin-Adapted Excited-Spectra Reduced Density Matrix Method

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b01627 ◽

2019 ◽

Vol 123 (23) ◽

pp. 14619-14624 ◽

Cited By ~ 3

Author(s):

Shayan Hemmatiyan ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Band Gap ◽

Matrix Method ◽

Graphene Nanoribbons ◽

Reduced Density Matrix ◽

Reduced Density

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Variational reduced-density-matrix method using three-particleN-representability conditions with application to many-electron molecules

Physical Review A ◽

10.1103/physreva.74.032501 ◽

2006 ◽

Vol 74 (3) ◽

Cited By ~ 88

Author(s):

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Matrix Method ◽

Reduced Density Matrix ◽

Reduced Density

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Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix method

The Journal of Chemical Physics ◽

10.1063/1.4731810 ◽

2012 ◽

Vol 137 (3) ◽

pp. 034107 ◽

Cited By ~ 6

Author(s):

Christine A. Schwerdtfeger ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Matrix Method ◽

Arbitrary Spin ◽

Reduced Density Matrix ◽

Spin States ◽

Reduced Density

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Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method

The Journal of Chemical Physics ◽

10.1063/1.3283052 ◽

2010 ◽

Vol 132 (3) ◽

pp. 034110 ◽

Cited By ~ 16

Author(s):

A. Eugene DePrince ◽

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Electron Correlation ◽

Matrix Method ◽

Reduced Density Matrix ◽

Spatial Locality ◽

Reduced Density

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Size extensivity of the variational reduced-density-matrix method

Physical Review A ◽

10.1103/physreva.80.042109 ◽

2009 ◽

Vol 80 (4) ◽

Cited By ~ 15

Author(s):

Maho Nakata ◽

Koji Yasuda

Keyword(s):

Density Matrix ◽

Matrix Method ◽

Reduced Density Matrix ◽

Size Extensivity ◽

Reduced Density

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