2.4k citations · 5k across the 28 of their papers we have counts for
Showing 2016 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2016★ 47 cited
Theory and applications of generalized Pipek--Mezey Wannier functions
Elvar Ö. Jónsson, Susi Lehtola, Martti Puska +1
The theory for the generation of Wannier functions within the generalized Pipek--Mezey approach [Lehtola, S.; Jónsson, H. J. Chem. Theory Comput. 2014, 10, 642] is presented and an…
cond-mat.mtrl-sci2016★ 488 cited
Global transition path search for dislocation formation in Ge on Si(001)
Emile Maras, Oleg Trushin, Alexander Stukowski +2
Global optimization of transition paths in complex atomic scale systems is addressed in the context of misfit dislocation formation in a strained Ge film on Si(001). Such paths con…