Nonlocal pseudopotential energy density functional for orbital-free density functional theory

Xu, Q; Ma, C; Mi, WH; Wang, YC; Ma, YM

Wang, YC (通讯作者),Jilin Univ, Coll Phys, Int Ctr Computat Methods & Software, Changchun 130012, Peoples R China.;Wang, YC (通讯作者),Jilin Univ, Coll Phys, State Key Lab Superhard Mat, Changchun 130012, Peoples R China.

NATURE COMMUNICATIONS, 2022; 13 (1):