Work

Constrained nuclear–electronic orbital method for periodic density functional theory: Application to H2 chemisorption on Si(001) surfaces

Year: 2025

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0278375

Authors: Songrui Liu, Jianhang Xu, Yosuke Kanai

Institutions: University of North Carolina at Chapel Hill, Peking University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: U.S. Department of Energy

Award: CENTER FOR HYBRID APPROACHES IN SOLAR ENERGY TO LIQUID FUELS (CHASE)

OpenAlex ID: W4413623869

FWCI: 1.852

Cites: 70

Cited by: 5

Related to: 10