Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions
Year: 2025
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0300691
Authors: Tian Qiu, Joseph E. Subotnik
Institution: Princeton University
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
Award: G106028609
OpenAlex ID: W4417496784