Hartree-Fock Energy Calculator
Explore Hartree-Fock ground state energies for atoms and understand the mean-field approximation.
Carbon
Hartree-Fock Ground State Energy
-37.6886 Eh
Hartree atomic units
-37.6886
-1025.56
-98951
-23650
-6.2814 Eh
-0.5653 Eh
Energy Comparison
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.
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Editorial Note
MyCalcBuddy Editorial Team
This page is maintained as an educational calculator reference.
Formula Source: Chemistry: The Central Science
by Brown, LeMay, Bursten