What Does GIAO Stand For?
GIAO stands for Gage Invariant Atomic Orbital
GIAO, or Gage Invariant Atomic Orbital, is a computational methodology used in quantum chemistry to calculate molecular properties in a way that is independent of the choice of gauge. This approach allows for accurate modeling of molecular systems in the presence of magnetic fields, enhancing the study of electronic structure and spectroscopy. GIAO provides a robust framework for evaluating nuclear magnetic resonance (NMR) chemical shifts and other related phenomena, ensuring reliable predictions and insights into the behavior of complex molecules.
Added on 14th April 2008 | Last edited on 16th June 2025 | Edit Acronym