Note: reproducibility of potential energy surfaces of organic/metal interfaces on the example of ptcda on ag(111)

HIGHLIGHTS

• who: Lukas Hu00f6rmann et al. from the Institute of Solid State Physics, NAWI Graz, Graz University of Technology, Petersgasse, Graz, Austria have published the paper: Note: Reproducibility of potential energy surfaces of organic/metal interfaces on the example of PTCDA on Ag(111), in the Journal: (JOURNAL)
• what: We present a benchmark of the recently developed MBD-NL vdW-correction paired with the PBE exchange correlation functional using the example of PTCDA on Ag(111).

SUMMARY

Accounting for van der Waals (vdW)-interactions is vital to acquire accurate interactions of organic . . .

 



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