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Authors: Sehun Kim, Do-Gyeong Lee, Gyumin Kim, Youngsam Kim, Mihira Sogal, Steven Crisostomo, Kieron Burke, Eunji Sim
Cited by: 0

Abstract

Geometries for one-electron systems, Energy curves of oneelectron systems, Error distribution of DFT and HF-DFT for 103 benchmark reactions, Table of energy difference between CCSD and CCSD(T) densities, Table of subset, systems, and stoichiometry information for the 103 benchmark reactions, Table of reaction indices of the 36 selected non-degenerated reactions, Table of ideal-DDE, pragmatic-DDE, and NDI of one-electron systems, Figures of density difference contour map between CCSD and CCSD(T), Figures of relationship between DDE and real-space density metrics

Fields of Study & Subjects

Advanced Chemical Physics Studies Advanced Physical and Chemical Molecular Interactions Atomic and Molecular Physics

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026
Language
EN