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List of works by Joachim Paier

Accurate band gaps and dielectric properties from one-electron theories (abstract only).

scientific article published on 24 January 2008

Assessment of correlation energies based on the random-phase approximation

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

scholarly article in Physical Review B, vol. 76 no. 19, November 2007

Cooperative formation of long-range ordering in water ad-layers on Fe3O4(111).

scientific article

Cu2ZnSnS4as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study

scholarly article in Physical Review B, vol. 79 no. 11, March 2009

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

scholarly article in Physical Review B, vol. 77 no. 24, June 2008

Density functional theory study of MnO by a hybrid functional approach

scholarly article in Physical Review B, vol. 72 no. 4, July 2005

Dielectric properties and excitons for extended systems from hybrid functionals

scholarly article in Physical Review B, vol. 78 no. 12, September 2008

Elucidating Surface Structure with Action Spectroscopy

scientific article published on 27 January 2020

Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR study.

scientific article published in January 2003

Erratum: Titration of Ce^{3+} Ions in the CeO_{2}(111) Surface by Au Adatoms [Phys. Rev. Lett. 111, 206101 (2013)]

scientific article published on 23 December 2015

Erratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]

correction of a scholarly article

Erratum: “Screened hybrid density functionals applied to solids” [J. Chem. Phys. 124, 154709 (2006)]

scholarly article published in Journal of Chemical Physics

Formation of carbonate and oxalate species on a Cobalt-modified Fe3O4(111) surface: Comparison of DFT+U, hybrid functionals, and the random phase approximation

scientific article published in 2022

Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations

scholarly article in Physical Review B, vol. 75 no. 19, May 2007

Hybrid functionals applied to extended systems

scientific article published on 24 January 2008

Hybrid functionals including random phase approximation correlation and second-order screened exchange

scientific article

O2 Activation on Ceria Catalysts-The Importance of Substrate Crystallographic Orientation

scientific article published on 11 October 2017

Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory

scholarly article in Physical Review B, vol. 78 no. 19, November 2008

Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment

scientific article published on 7 May 2013

Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces

scientific article published in December 2004

Reduction and oxidation of Au adatoms on the CeO2(111) surface - DFT+U versus hybrid functionals

scientific article published on 4 May 2017

Screened hybrid density functionals applied to solids.

scientific article

Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

scientific article published on 01 May 2009

Sites for methane activation on lithium-doped magnesium oxide surfaces

scientific article published on 23 April 2014

Stability and migration barriers of small vanadium oxide clusters on the CeO2(111) surface studied by density functional theory.

scientific article published in January 2013

Structural and Electronic Effects on the Properties of Fe2(dobdc) upon Oxidation with N2O.

scientific article published on 2 May 2016

Support effect in oxide catalysis: methanol oxidation on vanadia/ceria

scientific article published on 2 October 2014

Surface Termination of Fe3O4(111) Films Studied by CO Adsorption Revisited.

scientific article published on 16 June 2017

Surface structure of V_{2}O_{3}(0001) revisited

scientific article published on 26 May 2015

The AM05 density functional applied to solids

scientific article published on 01 February 2008

The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

scientific article published on 01 June 2005

Titration of Ce3+ ions in the CeO2(111) surface by Au adatoms

scientific article published on 12 November 2013

Toward an Understanding of Selective Alkyne Hydrogenation on Ceria: On the Impact of O Vacancies on H2 Interaction with CeO2(111).

scientific article published on 13 November 2017

Van der Waals interactions in ionic and semiconductor solids

scientific article published on 5 December 2011

Vibrational properties of CO2 adsorbed on the Fe3O4 (111) surface: Insights gained from DFT

scientific article published on 01 March 2020

Water Interaction with Iron Oxides

scientific article

Water adsorption on the Fe3O4(111) surface: dissociation and network formation

scientific article published on 01 June 2018

Why does the B3LYP hybrid functional fail for metals?

scientific article published on 01 July 2007

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