Assessing the accuracy of exchange-correlation functionals in density functional theory for hydrogen-benzene and hydrogen-hydrogen interactions

Physical review. B./Physical review. B 2026 Open access

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Authors: Yuta Kataoka, Ikutaro Hamada
DOI: 10.1103/qjv2-pbyy
Cited by: 0
References: 91

Abstract

Kataoka Yuta, Hamada Ikutaro. Assessing the accuracy of exchange-correlation functionals in density functional theory for hydrogen-benzene and hydrogen-hydrogen interactions. Physical Review B 113, 085143 (2026); https://doi.org/10.1103/qjv2-pbyy.

Fields of Study & Subjects

Crystallography and molecular interactions Advanced Chemical Physics Studies Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Physical review. B./Physical review. B
Volume
113
Issue
8
Pages
085143
Publication date
5 January 2026
Language
EN