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}, }