On the role of the nonlocal Hartree-Fock exchange in ab initio quantum transport: H2 in Pt nanocontacts revisited.

Keywords

Ab initio, Platinum, Density functional theory, Quantum, Conductance

References

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Cited by

• Influence of CO in the structural and electrical properties of Pt nanocontacts: comparison with H2 molecule addition.Yann Garcia — 2009
• Non Local Corrections to the Electronic Structure of Non Ideal Electron Gases: The Case of Graphene and TyrosineYamila García, J. Cuffe, F. Alzina — 2013
• Orthotropic Piezoelectricity in 2D NanocelluloseYann Garcia, Yasser B. Ruiz‐Blanco, Yovani Marrero‐Ponce — 2016
• Unveiled electric profiles within hydrogen bonds suggest DNA base pairs with similar bond strengthsYasser B. Ruiz‐Blanco, Y. Almeida, C. M. Sotomayor-Torres — 2017
• A Computationally Efficient and Accurate Method for Predicting Conductance of Single-Molecule JunctionsArtem Gulyaev, Jayanta Hazarika, Zhen-Fei Liu — 2026

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