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In this work, we systematically evaluate the accuracy in band gap prediction of range-separated hybrid functionals on a large set of semiconducting and insulating materials and carry out comparisons with the performance of their global counterparts. We obs ...
This paper presents an integrative and spatially explicit modeling approach for analyzing human and environmental exposure from pesticide application of smallholders in the potato producing Andean region in Colombia. The modeling approach fulfills the foll ...
Two petrographic settings of carbonaceous components, mainly filling open fractures and occasionally enclosed in shock-melt veins, were found in the recently fallen Tissint Martian meteorite. The presence in shock-melt veins and the deuterium enrichments ( ...
Wiley-Blackwell2014
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We present an efficient procedure for constructing nonempirical hybrid functionals to accurately predict band gaps of extended systems. We determine mixing parameters by enforcing the generalized Koopmans’ condition on localized electron states, which are ...
