2004/03/01 by Álvaro Rubio-García, A. Rubio-Garcia, D. R. Alcoba +8
Biochemistry, Genetics and Molecular Biology · Chemistry · Medicine · Physics and Astronomy · #Advanced NMR Techniques and Applications #Antimicrobial Resistance in Staphylococcus #Bacteria #Bacterial Identification and Susceptibility Testing #Bacterial biofilms and quorum sensing #Benchmarking #Biology #Carriage #Chemistry #Computational chemistry #Computer science #Configuration space #Integrable system #Intensive care unit #Internal medicine #Mathematical physics #Matrix (chemical analysis) #Medicine #Methicillin-resistant Staphylococcus aureus #Microbiology #Micrococcaceae #Nose #Outbreak #Pairing #Pathology #Physics #Pulsed-field gel electrophoresis #Quantum many-body systems #Quantum mechanics #Space (punctuation) #Staphylococcal infections #Staphylococcus aureus #Statistical physics #Surgery #Theoretical and Computational Physics #Theoretical physics #Virology #cond-mat.str-el #cond-mat.supr-con #nucl-th #quant-ph
paper · pdf · doi:10.1021/acs.jctc.8b00387
33 pages, 7 figures
openalex publication_date 2004/03/01 · openalex created_date 2016/06/24 · arxiv created 2018/05/03 · arxiv updated 2018/07/26 · openalex updated_date 2026/06/24
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 [Formula: see text] 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.