Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

Berger, Daniel; Logsdail, Andrew J.; Oberhofer, Harald; Farrow, Matthew R.; Catlow, C. Richard A.; Sherwood, Paul; Sokol, Alexey A.; Blum, Volker; Reuter, Karsten

doi:10.1063/1.4885816

Title:: Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework
Author(s):: Berger, Daniel; Logsdail, Andrew J.; Oberhofer, Harald; Farrow, Matthew R.; Catlow, C. Richard A.; Sherwood, Paul; Sokol, Alexey A.; Blum, Volker; Reuter, Karsten
Journal title:: J. Chem. Phys.
Year:: 2014
Journal volume:: 141
Pages contribution:: 024105
Fulltext / DOI:: doi:10.1063/1.4885816
Publisher:: AIP Publishing
Date of publication:: 14.07.2014
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