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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Assessment of the performance of DFT functionals in the fulfillment of off-diagonal hypervirial relationships

Francesco F Summa1, Guglielmo Monaco1, Paolo Lazzeretti1

  • 1Dipartimento di Chimica e Biologia "A. Zambelli", Università degli studi di Salerno, via Giovanni Paolo II 132, Fisciano 84084, SA, Italy. fsumma@unisa.it.

Physical Chemistry Chemical Physics : PCCP
|July 9, 2021
PubMed

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