Hartree-Fock Energy Calculator
Explore Hartree-Fock ground state energies for atoms and understand the mean-field approximation.
C
Carbon
Hartree-Fock Ground State Energy
HF Total Energy
-37.6886 Eh
Hartree atomic units
Hartree
-37.6886
eV
-1025.56
kJ/mol
-98951
kcal/mol
-23650
Energy per Electron
-6.2814 Eh
Correlation Energy (est.)
-0.5653 Eh
Energy Comparison
C vs Ne
ΔE = 90.8585 Eh
(2472.39 eV)
About Hartree-Fock
Hartree-Fock (HF) theory is a mean-field approach where each electron moves in the average field of all other electrons. It captures ~99% of the total energy but misses electron correlation (the instantaneous electron-electron interaction). The correlation energy is the difference between the exact energy and HF energy.