TY  - RPRT
TI  - Constrained nuclear–electronic orbital method for periodic density functional theory: Application to H 2 chemisorption on Si(001) surfaces
AU  - Liu, Songrui [Peking University, Beijing (China); University of North Carolina, Chapel Hill, NC (United States)] (ORCID:0009000496898763)
AU  - Xu, Jianhang [University of North Carolina, Chapel Hill, NC (United States)] (ORCID:0000000262536201)
AU  - Kanai, Yosuke [University of North Carolina, Chapel Hill, NC (United States)] (ORCID:0000000223204394)
PY  - 2025
DO  - 10.1063/5.0278375
UR  - https://www.osti.gov/biblio/2943088
ID  - 2943088
ER  -