ref_scf.bib

@article{pople1954self,
  title={Self-consistent orbitals for radicals},
  author={Pople, JA and Nesbet, R\_K},
  journal={The Journal of Chemical Physics},
  volume={22},
  number={3},
  pages={571--572},
  year={1954},
  publisher={AIP}
}

@article{widmark1990density,
  title={Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions},
  author={Widmark, Per-Olof and Malmqvist, Per-{\AA}ke and Roos, Bj{\"o}rn O},
  journal={Theoretica chimica acta},
  volume={77},
  number={5},
  pages={291--306},
  year={1990},
  publisher={Springer}
}

@article{roos2004relativistic,
  title={Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers},
  author={Roos, Bj{\"o}rn O and Veryazov, Valera and Widmark, Per-Olof},
  journal={Theoretical Chemistry Accounts},
  volume={111},
  number={2-6},
  pages={345--351},
  year={2004},
  publisher={Springer}
}

@article{roos2004main,
  title={Main group atoms and dimers studied with a new relativistic ANO basis set},
  author={Roos, Bj{\"o}rn O and Lindh, Roland and Malmqvist, Per-{\AA}ke and Veryazov, Valera and Widmark, Per-Olof},
  journal={The Journal of Physical Chemistry A},
  volume={108},
  number={15},
  pages={2851--2858},
  year={2004},
  publisher={ACS Publications}
}

@article{roos2005new,
  title={New relativistic ANO basis sets for transition metal atoms},
  author={Roos, Bj{\"o}rn O and Lindh, Roland and Malmqvist, Per-{\AA}ke and Veryazov, Valera and Widmark, Per-Olof},
  journal={The Journal of Physical Chemistry A},
  volume={109},
  number={29},
  pages={6575--6579},
  year={2005},
  publisher={ACS Publications}
}

@article{roos2005new_a,
  title={New relativistic ANO basis sets for actinide atoms},
  author={Roos, Bj{\"o}rn O and Lindh, Roland and Malmqvist, Per-{\AA}ke and Veryazov, Valera and Widmark, Per-Olof},
  journal={Chemical physics letters},
  volume={409},
  number={4-6},
  pages={295--299},
  year={2005},
  publisher={Elsevier}
}

@article{roos2008new,
  title={New relativistic atomic natural orbital basis sets for lanthanide atoms with applications to the Ce diatom and LuF3},
  author={Roos, Björn O and Lindh, Roland and Malmqvist, Per-{\AA}ke and Veryazov, Valera and Widmark, Per-Olof and Borin, Antonio Carlos},
  journal={The Journal of Physical Chemistry A},
  volume={112},
  number={45},
  pages={11431--11435},
  year={2008},
  publisher={ACS Publications}
}

@article{pulay1980convergence,
  title={Convergence acceleration of iterative sequences. The case of SCF iteration},
  author={Pulay, P{\'e}ter},
  journal={Chemical Physics Letters},
  volume={73},
  number={2},
  pages={393--398},
  year={1980},
  publisher={Elsevier}
}

@article{pulay1982improved,
  title={Improved SCF convergence acceleration},
  author={Pulay, Peter},
  journal={Journal of Computational Chemistry},
  volume={3},
  number={4},
  pages={556--560},
  year={1982},
  publisher={Wiley Online Library}
}

@article{kudin2002black,
  title={A black-box self-consistent field convergence algorithm: One step closer},
  author={Kudin, Konstantin N and Scuseria, Gustavo E and Cances, Eric},
  journal={The Journal of chemical physics},
  volume={116},
  number={19},
  pages={8255--8261},
  year={2002},
  publisher={AIP}
}

@article{hu2010accelerating,
  title={Accelerating self-consistent field convergence with the augmented Roothaan--Hall energy function},
  author={Hu, Xiangqian and Yang, Weitao},
  journal={The Journal of chemical physics},
  volume={132},
  number={5},
  pages={054109},
  year={2010},
  publisher={AIP}
}

@article{sun2016co,
  title={Co-iterative augmented Hessian method for orbital optimization},
  author={Sun, Qiming},
  journal={arXiv preprint arXiv:1610.08423},
  year={2016}
}