What Does PAO Stand For?

PAO stands for Polarized Atomic Orbital

PAO, or Polarized Atomic Orbital, refers to a computational approach in quantum chemistry utilized to model the electronic structure of atoms within molecules. By considering the polarization effects of neighboring atoms, PAOs improve the accuracy of electronic wavefunction representations and facilitate the study of molecular interactions and properties. This method is particularly valuable in density functional theory (DFT) and other simulations where precise electron distribution is essential for predicting chemical behavior.

Other Meanings for PAO