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Ab initio molecular simulations with numeric atom-centered orbitals

Publication ,  Journal Article
Blum, V; Gehrke, R; Hanke, F; Havu, P; Havu, V; Ren, X; Reuter, K; Scheffler, M
Published in: Comp. Phys. Commun.
2009
Published version (DOI)

Duke Scholars

Volker Blum
Author Volker Blum Thomas Lord Department of Mechanical Engineering and Materia ...
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Published In

Comp. Phys. Commun.

DOI

10.1016/j.cpc.2009.06.022

Publication Date

2009

Volume

180

Start / End Page

2175 / 2196

Publisher

Elsevier Science

Related Subject Headings

  • Nuclear & Particles Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 46 Information and computing sciences
  • 08 Information and Computing Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Blum, V., Gehrke, R., Hanke, F., Havu, P., Havu, V., Ren, X., … Scheffler, M. (2009). Ab initio molecular simulations with numeric atom-centered orbitals. Comp. Phys. Commun., 180, 2175–2196. https://doi.org/10.1016/j.cpc.2009.06.022
Blum, V., R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler. “Ab initio molecular simulations with numeric atom-centered orbitals.” Comp. Phys. Commun. 180 (2009): 2175–96. https://doi.org/10.1016/j.cpc.2009.06.022.
Blum V, Gehrke R, Hanke F, Havu P, Havu V, Ren X, et al. Ab initio molecular simulations with numeric atom-centered orbitals. Comp Phys Commun. 2009;180:2175–96.
Blum, V., et al. “Ab initio molecular simulations with numeric atom-centered orbitals.” Comp. Phys. Commun., vol. 180, Elsevier Science, 2009, pp. 2175–96. Manual, doi:10.1016/j.cpc.2009.06.022.
Blum V, Gehrke R, Hanke F, Havu P, Havu V, Ren X, Reuter K, Scheffler M. Ab initio molecular simulations with numeric atom-centered orbitals. Comp Phys Commun. Elsevier Science; 2009;180:2175–2196.

Published In

Comp. Phys. Commun.

DOI

10.1016/j.cpc.2009.06.022

Publication Date

2009

Volume

180

Start / End Page

2175 / 2196

Publisher

Elsevier Science

Related Subject Headings

  • Nuclear & Particles Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 46 Information and computing sciences
  • 08 Information and Computing Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences