What Does SUMP Stand For?

SUMP stands for Spin Constrained Unrestricted Moeller Plesset

SUMP, or Spin Constrained Unrestricted Moeller Plesset, is a computational method used in quantum chemistry to accurately calculate the electronic structure and properties of molecular systems. It extends traditional Moeller-Plesset perturbation theory by incorporating spin constraints, enabling the treatment of systems with complex electronic configurations, such as those arising in open-shell scenarios. SUMP enhances the precision of correlation energy calculations while maintaining computational efficiency, making it a valuable tool for researchers studying reactive intermediates, transition states, and other challenging molecular systems.