What Does BAO Stand For?

BAO stands for Best Atomic Orbital Basis

BAO, or Best Atomic Orbital Basis, refers to a highly optimized set of atomic orbitals used in quantum chemistry to describe the electronic structure of molecules. This basis set enhances computational efficiency and accuracy in electronic structure calculations by providing a tailored framework that best captures the relevant interactions and properties of the system under study. BAO is particularly valuable in various applications, including molecular modeling, material science, and spectroscopy, where precise electronic descriptions are essential for understanding molecular behavior and reactivity.

Other Meanings for BAO