Recent developments in the ABINIT software package

Xavier Gonze, F. Jollet, Flavio Abreu Araujo, +52

Computer Physics Communications

Software MaintenanceSoftware RepositoryEngineeringProgram AnalysisSoftware Testing +8

Local boron environment in B-doped nanocrystalline diamond films

Stuart Turner, Ying-Gang Lu, Stoffel D. Janssens, +6

Nanoscale

Materials ScienceDiamond GrainsLocal Boron EnvironmentDiamond-like CarbonEngineering +12

Aberration‐corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond

Stuart Turner, O. Shenderova, Fabiana Da Pieve, +5

physica status solidi (a)

Materials ScienceDiamond-like CarbonEngineeringCarbon-based MaterialDetonation Nanodiamond +13

Casting Light on the Darkening of Colors in Historical Paintings

Fabiana Da Pieve, Conor Hogan, D. Lamoen, +7

Physical Review Letters

Illumination ModelingArt HistoryColor ReproductionPhotochemistryInk Painting +10

Photoelectron–Auger electron coincidence study for condensed matter

G. Stefani, R. Gotter, A. Ruocco, +8

Journal of Electron Spectroscopy and Related Phenomena

EngineeringPhysicsCoincidence StudyElectron SpectroscopyApplied Physics +4

Colour degradation of artworks: an ab initio approach to X-ray, electronic and optical spectroscopy analyses of vermilion photodarkening

Conor Hogan, Fabiana Da Pieve

Journal of Analytical Atomic Spectrometry

Optical MaterialsX-ray SpectroscopyEngineeringDegradation ReactionVermilion Photodarkening +22

MsSpec-1.0: A multiple scattering package for electron spectroscopies in material science

Didier Sébilleau, C. R. Natoli, G. M. Gavaza, +3

Computer Physics Communications

EngineeringPhysicsElectron SpectroscopyNatural SciencesSpectroscopy +11

Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)

Péter Krüger, Fabiana Da Pieve, Jürg Osterwalder

Physical Review B

EngineeringElectron DiffractionComputational ChemistryChemistryElectronic Excited State +16

A time dependent DFT study of the efficiency of polymers for organic photovoltaics at the interface with PCBM

Niko Van den Brande, Gregory Van Lier, Fabiana Da Pieve, +4

RSC Advances

EngineeringOrganic ElectronicsEnergy EfficiencyOrganic Solar CellPhotovoltaic Devices +17

The polarisability of atoms and molecules: a comparison between a conceptual density functional theory approach and time-dependent density functional theory

Zino Boisdenghien, Stijn Fias, Fabiana Da Pieve, +2

Molecular Physics

EngineeringComputational ChemistryChemistryElectronic StructureSpectra-structure Correlation +15