What Does NHFFC Stand For?

NHFFC stands for Nonrelativistic Numerical Hartree Fock Frozen Core

NHFFC, or Nonrelativistic Numerical Hartree Fock Frozen Core, is a computational methodology used in quantum chemistry to efficiently approximate the electronic structure of atoms and molecules. It employs the Hartree-Fock framework while simplifying calculations by treating a core of inner-shell electrons as a fixed entity, thus allowing for a focus on the more reactive valence electrons. This technique enhances computational efficiency and accuracy in predicting molecular properties and behaviors in systems where relativistic effects are negligible.