A complete basis set model chemistry. II. Open-shell systems and the total energies of the first-row atoms

The major source of error in most ab initio calculations of molecular energies is the truncation of the one-electron basis set. An open-shell complete basis set (CBS) model chemistry, based on the unrestricted Hartree–Fock (UHF) zero-order wave function, is defined to include corrections for basis s... View More