Ab initio molecular simulations with numeric atom-centered orbitals

Academic Article

Full Text

Duke Authors

Cited Authors

  • Blum, V; Gehrke, R; Hanke, F; Havu, P; Havu, V; Ren, X; Reuter, K; Scheffler, M

Published Date

  • 2009

Published In

  • Comp. Phys. Commun.

Volume / Issue

  • 180 /

Chapter

  • 11

Start / End Page

  • 2175 - 2196

Published By

Digital Object Identifier (DOI)

  • 10.1016/j.cpc.2009.06.022