"Ab initio molecular simulations with numeric atom-centered orbitals."

Volker Blum et al. (2009)

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DOI: 10.1016/J.CPC.2009.06.022

access: closed

type: Journal Article

metadata version: 2020-02-21

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Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter, Matthias Scheffler:
Ab initio molecular simulations with numeric atom-centered orbitals. Comput. Phys. Commun. 180(11): 2175-2196 (2009)

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