Over the last few decades, researchers have built a variety of algorithms meant to produce an approximate result, typically based on concepts collectively termed "density functional theory." But researchers have now shown that the most recent generations of algorithms have gotten extremely biased; they continue to get better at estimating the energy of the electrons, but they may be getting worse at getting their geometry right.
Anyone who's worked in rof. Henry F. Schaefer's lab knows that DFT is not real computational chemistry and CCSDT(Q) is the only real science. Hartree–Fock algorithms for the win!