Very large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations

Constantine Bekas, Alessandro Curioni. Very large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations. Computer Physics Communications, 181(6):1057-1068, 2010. [doi]

@article{BekasC10,
  title = {Very large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations},
  author = {Constantine Bekas and Alessandro Curioni},
  year = {2010},
  doi = {10.1016/j.cpc.2010.02.013},
  url = {http://dx.doi.org/10.1016/j.cpc.2010.02.013},
  researchr = {https://researchr.org/publication/BekasC10},
  cites = {0},
  citedby = {0},
  journal = {Computer Physics Communications},
  volume = {181},
  number = {6},
  pages = {1057-1068},
}