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

The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the seniority quantum number restricts the Hamiltonians to be b...

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Detalles Bibliográficos
Autores principales: Rubio-García, A., Alcoba, D.R., Capuzzi, P., Dukelsky, J.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_15499618_v14_n8_p4183_RubioGarcia
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_15499618_v14_n8_p4183_RubioGarcia2023-10-03T16:23:18Z Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models Rubio-García, A. Alcoba, D.R. Capuzzi, P. Dukelsky, J. The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the seniority quantum number restricts the Hamiltonians to be based on the SU(2) algebra. Among them there is a whole family of exactly solvable Richardson-Gaudin pairing Hamiltonians. We benchmark the variational theory against two different exactly solvable models, the Richardson-Gaudin-Kitaev and the reduced BCS Hamiltonians. We obtain exact numerical results for the so-called PQGT N-representability conditions in both cases for systems that go from 10 to 100 particles. However, when random single-particle energies as appropriate for small superconducting grains are considered, the exactness is lost but still a high accuracy is obtained. © 2018 American Chemical Society. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_15499618_v14_n8_p4183_RubioGarcia
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the seniority quantum number restricts the Hamiltonians to be based on the SU(2) algebra. Among them there is a whole family of exactly solvable Richardson-Gaudin pairing Hamiltonians. We benchmark the variational theory against two different exactly solvable models, the Richardson-Gaudin-Kitaev and the reduced BCS Hamiltonians. We obtain exact numerical results for the so-called PQGT N-representability conditions in both cases for systems that go from 10 to 100 particles. However, when random single-particle energies as appropriate for small superconducting grains are considered, the exactness is lost but still a high accuracy is obtained. © 2018 American Chemical Society.
format JOUR
author Rubio-García, A.
Alcoba, D.R.
Capuzzi, P.
Dukelsky, J.
spellingShingle Rubio-García, A.
Alcoba, D.R.
Capuzzi, P.
Dukelsky, J.
Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
author_facet Rubio-García, A.
Alcoba, D.R.
Capuzzi, P.
Dukelsky, J.
author_sort Rubio-García, A.
title Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
title_short Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
title_full Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
title_fullStr Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
title_full_unstemmed Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models
title_sort benchmarking the variational reduced density matrix theory in the doubly occupied configuration interaction space with integrable pairing models
url http://hdl.handle.net/20.500.12110/paper_15499618_v14_n8_p4183_RubioGarcia
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AT capuzzip benchmarkingthevariationalreduceddensitymatrixtheoryinthedoublyoccupiedconfigurationinteractionspacewithintegrablepairingmodels
AT dukelskyj benchmarkingthevariationalreduceddensitymatrixtheoryinthedoublyoccupiedconfigurationinteractionspacewithintegrablepairingmodels
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