Assessing the source of error in the Thomas-Fermi-von Weizsäcker density functional.

Thapa, Bishal; Jing, Xin; Pask, John E; Suryanarayana, Phanish; Mazin, Igor I.

Afiliação

Thapa B; Department of Physics and Astronomy, George Mason University, Fairfax, Virginia 22030, USA.
Jing X; Quantum Science and Engineering Center, George Mason University, Fairfax, Virginia 22030, USA.
Pask JE; College of Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Suryanarayana P; College of Computing, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Mazin II; Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.

J Chem Phys ; 158(21)2023 Jun 07.

Article em En | MEDLINE | ID: mdl-37259998

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article