2023/09/28 by Lucian A. Constantin, Constantin, Lucian A., Subrata Jana +5 · 1 citation
Mathematics · Physics and Astronomy · #Adiabatic process #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Atomic physics #Chemical Physics (physics.chem-ph) #Classical mechanics #Cold Atom Physics and Bose-Einstein Condensates #Connection (principal bundle) #Electron #FOS: Physical sciences #Fermi gas #Geometry #Interpolation (computer graphics) #Jellium #Limit (mathematics) #Mathematical analysis #Mathematics #Noble gas #Perturbation theory (quantum mechanics) #Physics #Quantum mechanics
paper · pdf · doi:10.48550/arxiv.2309.16430
openalex publication_date 2023/09/28 · openalex created_date 2023/10/01 · openalex updated_date 2026/07/28
The adiabatic connection interaction strength interpolation (ISI)-like method provides a high-level expression for the correlation energy, being in principle exact in the weak-interaction limit, where it recovers the second-order Görling-Levy perturbation term, but also in the strong-interaction limit that is described by the strictly correlated electron approach. In this work, we construct the genISI functional made accurate for the uniform electron gas, a solid-state physics paradigm that is a very difficult test for ISI-like correlation functionals. We assess the genISI functional for various jellium spheres with the number of electrons Z ≤ 912 and for the non-relativistic noble atoms with Z ≤ 290. For the jellium clusters, the genISI is remarkably accurate, while for the noble atoms, it shows a good performance, similar to other ISI-like methods. Then, the genISI functional can open the path using the ISI-like method in solid-state calculations.