Advanced search

Authors whose works are in public domain in at least one jurisdiction

List of works by Patrick Rinke

1-50 of 70 results

View this query on the Wikidata Query Service
Hybrid functional studies of the oxygen vacancy inTiO2

scholarly article in Physical Review B, vol. 81 no. 8, February 2010
Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations

scientific article published on 12 April 2011
Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial

scientific article published in Physical Review Letters
Auger recombination rates in nitrides from first principles

article by Kris T. Delaney et al published 11 May 2009 in Applied Physics Letters
Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes

article by Emmanouil Kioupakis et al published 18 April 2011 in Applied Physics Letters
Unified description of ground and excited states of finite systems: The self-consistentGWapproach

scholarly article in Physical Review B, vol. 86 no. 8, August 2012
Self-consistentGW: All-electron implementation with localized basis functions

scholarly article in Physical Review B, vol. 88 no. 7, August 2013
Localized and itinerant states in lanthanide oxides united by GW @ LDA+U.

scientific article published on 24 March 2009
Controlling polarization at insulating surfaces: quasiparticle calculations for molecules adsorbed on insulator films

scientific article published on 31 July 2009
Benchmark ofGWmethods for azabenzenes

scholarly article in Physical Review B, vol. 86 no. 24, December 2012
Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory

scientific article published on 3 April 2013
First-Principles Optical Spectra forFCenters in MgO

scientific article published in Physical Review Letters
Space-charge transfer in hybrid inorganic-organic systems

scientific article published on 27 November 2013
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions

GW100: Benchmarking G0W0 for Molecular Systems

scientific article
Evidence for photogenerated intermediate hole polarons in ZnO.

scientific article published on 22 April 2015
Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE

scientific article published on 30 April 2015
Large work function reduction by adsorption of a molecule with a negative electron affinity: pyridine on ZnO(1010).

scientific article published in November 2013
Tin dioxide from first principles: Quasiparticle electronic states and optical properties

article by A. Schleife et al published 18 January 2011 in Physical Review B
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods.

scientific article published on 5 January 2016
Density-Functional Theory forf-Electron Systems: Theα−γPhase Transition in Cerium

scientific article published in Physical Review Letters
Free-carrier absorption in nitrides from first principles

article by Emmanouil Kioupakis et al published 2 June 2010 in Physical Review B
Comment on “Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency”

scientific article published in Physical Review Letters
Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals.

scientific article published on 5 January 2016
Ultrathin oxides: bulk-oxide-like model surfaces or unique films?

scientific article published on 21 August 2007
Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

scientific article published on 29 January 2019
Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001).

scientific article published on 10 March 2015
Thermodynamic equilibrium conditions of graphene films on SiC.

scientific article published on 6 August 2013
Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar

Static correlation and electron localization in molecular dimers from the self-consistent RPA andGWapproximation

scholarly article in Physical Review B, vol. 91 no. 16, April 2015
Band parameters and strain effects in ZnO and group-III nitrides

Optimizing optical absorption of TiO2 by alloying with TiS2

Dangling-bond defects and hydrogen passivation in germanium

scholarly article by J. R. Weber et al published October 2007 in Applied Physics Letters
CombiningGWcalculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis

scientific article published on 27 August 2018
Role of strain in polarization switching in semipolar InGaN/GaN quantum wells

Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation

scientific article published on 21 September 2016
Effects of strain on the band structure of group-III nitrides

scholarly article in Physical Review B, vol. 90 no. 12, September 2014
New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals

scientific article published on 09 February 2012
Determination of Internal Loss in Nitride Lasers from First Principles

article published in 2010
Strain effects and band parameters in MgO, ZnO, and CdO

Chemical diversity in molecular orbital energy predictions with kernel ridge regression

scientific article published on 01 May 2019
Data-Driven Materials Science: Status, Challenges, and Perspectives

scientific article published on 01 September 2019
Erratum: Corrigendum: Evidence for photogenerated intermediate hole polarons in ZnO

article
Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

Controlling the work function of ZnO and the energy-level alignment at the interface to organic semiconductors with a molecular electron acceptor

scholarly article in Physical Review B, vol. 87 no. 15, April 2013
Assessment of correlation energies based on the random-phase approximation

Density functional theory study of theα−γphase transition in cerium: Role of electron correlation andf-orbital localization

scholarly article by Marco Casadei et al published 29 February 2016 in Physical Review B
Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GWapproach

scholarly article in Physical Review B, vol. 92 no. 19, November 2015

Paulina is supported by:

About Paulina

Help