Comparative study of first-principles approaches for effective Coulomb interaction strength U<sub>eff</sub> between localized f-electrons: Lanthanide metals as an example.

Liu, Bei-Lei; Wang, Yue-Chao; Liu, Yu; Xu, Yuan-Ji; Chen, Xin; Song, Hong-Zhou; Bi, Yan; Liu, Hai-Feng; Song, Hai-Feng

Comparative study of first-principles approaches for effective Coulomb interaction strength U_eff between localized f-electrons: Lanthanide metals as an example.

Liu, Bei-Lei; Wang, Yue-Chao; Liu, Yu; Xu, Yuan-Ji; Chen, Xin; Song, Hong-Zhou; Bi, Yan; Liu, Hai-Feng; Song, Hai-Feng.

Afiliación

Liu BL; School of Mathematical Sciences, Beijing Normal University, Beijing 100875, China.
Wang YC; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
Liu Y; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
Xu YJ; Institute for Applied Physics, University of Science and Technology Beijing, Beijing 100083, China.
Chen X; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
Song HZ; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
Bi Y; Center for High Pressure Science and Technology Advanced Research, Beijing 100094, China.
Liu HF; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
Song HF; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.

J Chem Phys ; 158(8): 084108, 2023 Feb 28.

Article en En | MEDLINE | ID: mdl-36859109

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos

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