What Does AUHF Stand For?

AUHF stands for Annihilated Unrestricted Hartree Fock Method

The Annihilated Unrestricted Hartree Fock (AUHF) Method is a computational technique used in quantum chemistry and molecular physics. It extends the traditional Hartree Fock approach by allowing for the optimization of electronic wave functions without the constraints of spin symmetry. This method effectively addresses the limitations of conventional Hartree Fock calculations, particularly in systems with strong electron correlation or break symmetry. The AUHF method aims to improve the accuracy of electronic structure predictions, making it a valuable tool for researchers in the study of complex molecular systems.