Chemistry - Graduate Chemistry - Computational chemistry - Computational Methods Comparison
Bar chart comparing computational chemistry methods by accuracy vs computational cost. X-axis: methods in increasing accuracy: Molecular Mechanics (MM), Semi-empirical (AM1, PM3), Hartree-Fock (HF), DFT (B3LYP), MP2, CCSD(T). Y-axis (left): Relative accuracy (how close to experimental). Y-axis (righ