Assessing the accuracy of exchange-correlation functionals in density functio...

B2FIND2026-03-19 收录

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<p>We calculated the interaction energies of hydrogen-benzene and hydrogen-hydrogen complexes using dispersion-inclusive exchange-correlation functionals in density...

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

We calculated the interaction energies of hydrogen-benzene and hydrogen-hydrogen complexes using dispersion-inclusive exchange-correlation functionals in density functional theory and compared them wi

DataCite Commons2026-03-12 更新00

Data publication: Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons

This repository contains the DFT simulation results presented in the article "Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons". The m

DataCite Commons2023-08-12 更新10

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

DataCite Commons2026-03-12 更新00

Data publication: Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons

This repository contains the DFT simulation results presented in the article "Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons

rodare.hzdr.de30

Data publication: Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons

DataCite Commons2023-02-24 更新30