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CONFIGURATION MIXING WITHIN THE ENERGY DENSITY FUNCTIONAL FORMALISM: PATHOLOGIES AND CURES

2008/11/17 by Denis Lacroix, Michael Bender, M. Bender +2 · 2 citations
Mathematics · Physics and Astronomy · #Applied mathematics #Artificial intelligence #Astronomical and nuclear sciences #Atomic and Molecular Physics #Computer science #Diagonal #Energy density #Energy functional #Formalism (music) #Geometry #Hamiltonian (control theory) #Mathematical optimization #Mathematics #Nuclear physics research studies #Physics #Quantum mechanics #Regularization (linguistics) #Statistical physics #Theoretical physics #nucl-th

paper · pdf · doi:10.1142/s021830130901438x

published in International Journal of Modern Physics E 18(10), 2108-2113 (World Scientific) · 5 pages, Proceedings of the French-Japanese Symposium, September 2008. To be published in Int. J. of Mod. Phys. E

arxiv created 2008/11/17 · openalex publication_date 2009/11/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy with the pure Hamiltonian case and the use of the generalized Wick theorem, is responsible for the recently observed divergences and steps in Multi-Reference calculations. We summarize here the minimal solution to this problem recently proposed 1 and applied with success to particle number restoration 2 . Such a regularization method provides suitable corrections of pathologies for EDF depending on integer powers of the density. The specific case of fractional powers of the density 3 is also discussed.

Citations