What Does PCILO Stand For?

PCILO stands for Perturbative Configuration Interaction Using Localized Orbitals

PCILO, or Perturbative Configuration Interaction Using Localized Orbitals, is a computational approach in quantum chemistry that combines perturbative techniques with configuration interaction methods to enhance the accuracy and efficiency of electronic structure calculations. By utilizing localized orbitals, PCILO effectively captures electron correlation effects while reducing computational costs, making it suitable for studying complex molecular systems and facilitating high-level theoretical investigations. This method provides a valuable tool for researchers seeking to understand molecular properties and reactions with precision.