Ab initio molecular simulations with numeric atom-centered orbitals

Journal Article (Academic article)

Full Text

Published version (via Digital Object Identifier)

Duke Authors

Blum, Volker

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

Elsevier Science

Digital Object Identifier (DOI)

10.1016/j.cpc.2009.06.022