Work

Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics

Year: 2025

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0255984

Authors: Tao E. Li, Xiaosong Li, Sharon Hammes-Schiffer

Institutions: University of Delaware, University of Washington, Princeton University

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: U.S. Department of Energy, Basic Energy Sciences

Awards: CENTER FOR HYBRID APPROACHES IN SOLAR ENERGY TO LIQUID FUELS (CHASE), G4522461614

OpenAlex ID: W4409271099

FWCI: 1.473

Cites: 47

Cited by: 4

Related to: 10