Theoretical Models in XANES

Theoretical models in XANES (X-ray Absorption Near Edge Structure) are mathematical frameworks used to interpret how X-rays are absorbed by materials. They help scientists understand the electronic structure and local environment of atoms within a sample by simulating how X-ray photons interact with electrons. These models consider factors like atomic arrangement, electronic states, and bonding, providing insights into material properties. By comparing theoretical predictions with experimental data, researchers can identify and analyze the chemical states and structures of complex materials with greater accuracy.