What Does UNO Stand For?

UNO stands for Unrestricted Natural Orbital

UNO, or Unrestricted Natural Orbital, refers to a computational approach in quantum chemistry that allows for the optimization of molecular wavefunctions without constraints on the occupancy of orbitals. This method enables the exploration of both closed and open-shell systems, providing a more accurate representation of electronic structures by utilizing natural orbital solutions. UNO is particularly useful in studying complex molecular interactions and can enhance the predictive power of theoretical models in various chemical applications.