HartreeFocki
Hartree-Fock theory, also known as Hartree-Fock method or Hartree-Fock approximation, is a computational chemistry method used to determine the electronic structure of atoms and molecules. It is a variational method that seeks to find the wavefunction that minimizes the energy of a system of electrons. The method was developed independently by Douglas Hartree and Vladimir Fock in the 1920s and 1930s, respectively.
The Hartree-Fock method is based on the Hartree product, which is a single Slater determinant constructed from
The Hartree-Fock method is widely used in computational chemistry due to its balance between accuracy and computational
However, the Hartree-Fock method has some limitations. It does not account for electron correlation, which is
In summary, Hartree-Fock theory is a fundamental method in computational chemistry that provides a good approximation