"Very large scale wavefunction orthogonalization in Density Functional ..."

Constantine Bekas, Alessandro Curioni (2010)

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DOI: 10.1016/J.CPC.2010.02.013

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type: Journal Article

metadata version: 2020-02-21

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Constantine Bekas, Alessandro Curioni:
Very large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations. Comput. Phys. Commun. 181(6): 1057-1068 (2010)

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