Work

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Year: 2024

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0230570

Authors: Jianhang Xu, Ruiyi Zhou, Tao E. Li, Sharon Hammes-Schiffer, Yosuke Kanai

Institutions: University of North Carolina at Chapel Hill, Yale University, University of Delaware, Princeton 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: W4404502638

FWCI: 2.068

Cites: 47

Cited by: 13

Related to: 10