135 citations · 270 across the 2 of their papers we have counts for
3 papers
cond-mat.mes-hall2007★ 135 cited
Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions
C. Toher, S. Sanvito
In transport calculations for molecular junctions based on density functional theory the choice of exchange and correlation functional may dramatically affect the results. In parti…
cond-mat.mes-hall2006★ 135 cited
Efficient atomic self-interaction correction scheme for non-equilibrium quantum transport
C. Toher, S. Sanvito
Density functional theory calculations of electronic transport based on local exchange and correlation functionals contain self-interaction errors. These originate from the interac…
cond-mat.mes-hall2005
Self-interaction errors in density functional calculations of electronic transport
C. Toher, A. Filippetti, S. Sanvito +1
All density functional calculations of single-molecule transport to date have used continuous exchange-correlation approximations. The lack of derivative discontinuity in such calc…