Quantitative and bond-traceable resonant X-ray optical tensors of organic molecules
Paper • 2509.01734 • Published • 2
ML-DFT Optical models
optical models constructed thought ML clustering of DFT
optical models constructed thought ML clustering of DFT
CuPc NEXAFS tensors, DFT sticks, clustering demo
ZnPc NEXAFS tensors, DFT sticks, clustering demo
