252 citations · 320 across the 4 of their papers we have counts for
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cond-mat.mes-hall2013★ 30 cited
Influence of vibrations on electron transport through nanoscale contacts
Marius Bürkle, Janne K. Viljas, Thomas J. Hellmuth +4
In this article we present a novel semi-analytical approach to calculate first-order electron-vibration coupling constants within the framework of density functional theory. It com…
physics.chem-ph2013★ 252 cited
An efficient implementation of two-component relativistic exact-decoupling methods for large molecules
Daoling Peng, Nils Middendorf, Florian Weigend +1
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relati…