DEVELOPMENT OF HIGH-SPEED AB INITIO CCSD(T) LEVEL NEURAL NETWORK POTENTIAL ENERGY SURFACES FOR DIFFUSION MONTE CARLO

Autor: Fenris Lu, Anne McCoy
Rok vydání: 2022
Zdroj: Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
DOI: 10.15278/isms.2022.tk02
Databáze: OpenAIRE