Erxi Feng

Jul 28, 2023 | onlinelibrary.wiley.com | Qianli Ma |Xiaojian Bai |Erxi Feng |Guannan Zhang

Abstract A new approach to the fast optimization of crystal electric field (CEF) parameters to fit experimental data is presented. This approach is implemented in a lightweight Python-based program, CrysFieldExplorer. The main novelty of the method is the development of a unique loss function, referred to as the spectrum characteristic loss (LSpectrum), which is based on the characteristic polynomial of the Hamiltonian matrix.