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Daniel Sánchez-Portal

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Journal Articles

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2019
[j2]
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  dblp key:
  - journals/cphysics/KovalBS19
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  persistent URL:
  - https://dblp.org/rec/journals/cphysics/KovalBS19
Peter Koval, Marc Barbry, Daniel Sánchez-Portal:
PySCF-NAO: An efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals. Comput. Phys. Commun. 236: 188-204 (2019)
2015
[j1]
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  - journals/computation/DarghouthCTALKS15
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  - https://dblp.org/rec/journals/computation/DarghouthCTALKS15
Ala Aldin M. H. M. Darghouth, Mark E. Casida, Walid Taouali, Kamel Alimi, Mathias P. Ljungberg, Peter Koval, Daniel Sánchez-Portal, Dietrich Foerster:
Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations. Comput. 3(4): 616-656 (2015)

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