Supplementary Material

AIP Publishing 2026 Open access

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Authors: Mathew Chow, Eno Paenurk, Sharon Hammes‐Schiffer
DOI: 10.60893/figshare.jcp.31158091
Cited by: 0

Abstract

Additional conventional Hartree-Fock convergence statistics; additional NEO-HF convergence statistics for systems with multiple quantum protons; NEO-HF convergence statistics for systems with a single quantum proton; NEO-DFT convergence statistics for systems with multiple quantum protons; conventional DFT calculations on UO2(OH)4; additional technical and timing information.

Fields of Study & Subjects

Advanced Chemical Physics Studies Radioactive element chemistry and processing Nuclear Materials and Properties

Publication details

Journal / source
AIP Publishing
Publication date
17 February 2026
Language
EN