Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimers
Year: 2025
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0268710
Institution: Georgia Institute of Technology
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
Funder: National Science Foundation
OpenAlex ID: W4410045552