Work

Solvent Effects on Nonadiabatic Dynamics: Ab Initio Multiple Spawning Propagated on CASPT2/xTB Potentials

Year: 2025

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.4c01715

Author: Davide Avagliano

Institutions: Centre National de la Recherche Scientifique, Chimie ParisTech - PSL, Université Paris Sciences et Lettres, Chimie Biologique pour le Vivant, Institute of Chemistry for Life and Health Sciences

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

OpenAlex ID: W4407353511

FWCI: 2.578

Cites: 90

Cited by: 7

Related to: 10