local-orbitals

**local-orbitals**

Tags related to “local orbitals” focus on concepts and discussions about atomic and molecular orbitals that are localized in space, rather than delocalized over an entire molecule or crystal. This tag is used for content exploring the theory, calculation, visualization, and applications of local orbitals in quantum chemistry, computational chemistry, and materials science. Posts with this tag might cover topics such as localized molecular orbitals, orbital localization methods, their role in electronic structure analysis, and how they aid in understanding chemical bonding and reactivity.