Configuration Interaction

Configuration Interaction (CI) is a method used in quantum chemistry to improve the accuracy of electronic structure calculations. It considers multiple possible arrangements (configurations) of electrons in an atom or molecule and combines them to better represent the true quantum state. Instead of relying on a single electron configuration, CI accounts for electron correlation by mixing various configurations, capturing how electrons influence each other more accurately. This approach leads to more precise predictions of properties like energy levels and behavior, helping scientists understand and model complex chemical systems more reliably.