What Does AUMP Stand For?

AUMP stands for Annihilated Unrestricted Moeller Plesset Spin Contaminant

AUMP, or Annihilated Unrestricted Moeller Plesset Spin Contaminant, refers to a theoretical framework in quantum chemistry that addresses persistent spin contamination issues in wave function calculations. This approach extends the Moeller-Plesset perturbation theory by implementing mechanisms to effectively eliminate or mitigate unwanted spin-related discrepancies, thus enhancing the accuracy of electronic structure predictions in complex molecular systems. AUMP is particularly relevant for improving computational efficiency and reliability in systems with strong electron correlation effects.