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< i> 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: Computer Physics Communications
2009

Duke Scholars

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

Published In

Computer Physics Communications

Publication Date

2009

Volume

180

Start / End Page

2175 / 2196

Publisher

Elsevier

Related Subject Headings

  • Nuclear & Particles Physics
  • 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). < i> Ab initio molecular simulations with numeric atom-centered orbitals. Computer Physics Communications, 180, 2175–2196.
Blum, Volker, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter, and Matthias Scheffler. “< i> Ab initio molecular simulations with numeric atom-centered orbitals.” Computer Physics Communications 180 (2009): 2175–96.
Blum V, Gehrke R, Hanke F, Havu P, Havu V, Ren X, et al. < i> Ab initio molecular simulations with numeric atom-centered orbitals. Computer Physics Communications. 2009;180:2175–96.
Blum, Volker, et al. “< i> Ab initio molecular simulations with numeric atom-centered orbitals.” Computer Physics Communications, vol. 180, Elsevier, 2009, pp. 2175–96.
Blum V, Gehrke R, Hanke F, Havu P, Havu V, Ren X, Reuter K, Scheffler M. < i> Ab initio molecular simulations with numeric atom-centered orbitals. Computer Physics Communications. Elsevier; 2009;180:2175–2196.

Published In

Computer Physics Communications

Publication Date

2009

Volume

180

Start / End Page

2175 / 2196

Publisher

Elsevier

Related Subject Headings

  • Nuclear & Particles Physics
  • 08 Information and Computing Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences