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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

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