2009/06/30 by Robert Roth, Jeffrey R. Gour, Piotr Piecuch · 14 citations
Chemistry · Mathematics · Physics and Astronomy · #Ab initio #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Atomic physics #Basis (linear algebra) #Center of mass (relativistic) #Chemistry #Cluster (spacecraft) #Computer science #Configuration interaction #Coupled cluster #Geometry #Mathematics #Molecule #Nuclear physics research studies #Observable #Physics #Quantum mechanics #SHELL model #Statistical physics #Statistics #Truncation (statistics) #nucl-th
paper · pdf · doi:10.1016/j.physletb.2009.07.071
published in Physics Letters B 679(4), 334-339 (Elsevier BV) · 6 pages, 1 figure, 2 tables; v2: minor modifications, Phys. Lett. B in print
openalex publication_date 2009/08/01 · arxiv created 2009/08/05 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
The problem of center-of-mass (CM) contaminations in ab initio nuclear structure calculations using configuration interaction (CI) and coupled-cluster (CC) approaches is analyzed. A rigorous and quantitative scheme for diagnosing the CM contamination of intrinsic observables is proposed and applied to ground-state calculations for 4He and 16O. The CI and CC calculations for 16O based on model spaces defined via a truncation of the single-particle basis lead to sizable CM contaminations, while the importance-truncated no-core shell model based on the NmaxℏΩ space is virtually free of CM contaminations.