Explicitly correlated frequency-independent second-order green's function for accurate ionization energies

@article{Ohnishi2016ExplicitlyCF,
  title={Explicitly correlated frequency-independent second-order green's function for accurate ionization energies},
  author={Yu-ya Ohnishi and Seiichiro Ten-no},
  journal={Journal of computational chemistry},
  year={2016},
  volume={37 27},
  pages={
          2447-53
        }
}
Explicitly correlated second-order Green's function (GF2-F12) is presented and applied to polycyclic aromatic hydrocarbons (PAHs), oligothiophene, and porphyrins. GF2 suffers from slow convergence of orbital expansions as in the ordinary post Hartree-Fock methods in ab initio theory, albeit the method is capable of providing quantitatively accurate… CONTINUE READING