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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential

Christopher Shepard1, Ruiyi Zhou1, John Bost1

  • 1Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, USA.

The Journal of Chemical Physics
|July 10, 2024
PubMed

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