What Does HFPP Stand For?

HFPP stands for Hartree Fock Pseudopotential

HFPP, or Hartree Fock Pseudopotential, refers to a computational approach in quantum chemistry and materials science that combines the Hartree-Fock method with the use of pseudopotentials. This technique simplifies the treatment of electron-electron interactions and allows for a more efficient calculation of the electronic structure of atoms and molecules, particularly in systems with heavy elements. By replacing the core electrons with effective potentials, HFPP enables accurate predictions of properties while reducing computational resources, making it valuable for studying complex materials and chemical processes.