Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium
Crossref DOI link: https://doi.org/10.1063/1.5119124
Published Online: 2019-09-23
Published Print: 2019-09-28
Update policy: https://doi.org/10.1063/aip-crossmark-policy-page
Tao, Zhen http://orcid.org/0000-0003-0511-7665
Yang, Yang http://orcid.org/0000-0001-8572-5155
Hammes-Schiffer, Sharon http://orcid.org/0000-0002-3782-6995
Funding for this research was provided by:
National Science Foundation (CHE-1762018)
Accepted Manuscript valid from 2020-09-23