Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional

Ferri, Nicola; DiStasio, Robert A.; Ambrosetti, Alberto; Car, Roberto; Tkatchenko, Alexandre

doi:10.1103/PhysRevLett.114.176802

Title: Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional

Authors:: Ferri, Nicola; DiStasio, Robert A.; Ambrosetti, Alberto; Car, Roberto; Tkatchenko, Alexandre

Publication Date:: Mon Apr 27 00:00:00 EDT 2015

Sponsoring Org.:: USDOE

OSTI Identifier:: 1178772

Grant/Contract Number:: SC0008626

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 114 Journal Issue: 17; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Ferri, Nicola, DiStasio, Robert A., Ambrosetti, Alberto, Car, Roberto, and Tkatchenko, Alexandre. Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevLett.114.176802.

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                    Ferri, Nicola, DiStasio, Robert A., Ambrosetti, Alberto, Car, Roberto, & Tkatchenko, Alexandre. Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional.  United States.  https://doi.org/10.1103/PhysRevLett.114.176802

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                    Ferri, Nicola, DiStasio, Robert A., Ambrosetti, Alberto, Car, Roberto, and Tkatchenko, Alexandre. Mon .  
"Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional".  United States.  https://doi.org/10.1103/PhysRevLett.114.176802.

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@article{osti_1178772,

  title        = {Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional},

  author       = {Ferri, Nicola and DiStasio, Robert A. and Ambrosetti, Alberto and Car, Roberto and Tkatchenko, Alexandre},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.114.176802},

  journal      = {Physical Review Letters},

  number       = 17,

  volume       = 114,

  place        = {United States},

  year         = {Mon Apr 27 00:00:00 EDT 2015},

  month        = {Mon Apr 27 00:00:00 EDT 2015}

}

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Title: Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional

Citation Formats

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A generalized-gradient approximation exchange hole model for dispersion coefficients
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Exploring the bonding of large hydrocarbons on noble metals: Diindoperylene on Cu(111), Ag(111), and Au(111)
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Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems
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The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water
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The role of relativity in the optical response of gold within the time-dependent current-density-functional theory
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Converged properties of clean metal surfaces by all-electron first-principles calculations
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