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Concept

Relativistic quantum chemistry

Related publications (7)

Plasmonic effects in the neutralization of slow ions at a metallic surface

Marnik Bercx

Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...

WILEY-V C H VERLAG GMBH2023

Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil's Staircase

Sergio Vela Llausi

Cooperativity is key in defining the shape (i.e., gradual, abrupt, or hysteretic) of thermally driven spin transitions in magnetic switches. Despite its importance, there is very little information on its atomistic origin, which hinders the rational design ...

AMER CHEMICAL SOC2018

Symmetries and optical transitions of hexagonal quantum dots in GaAs/AlGaAs nanowires

Marc-André Dupertuis

We investigate the properties of electronic states and optical transitions in hexagonal GaAs quantum dots within Al0.3Ga0.7As nanowires, grown in axial direction [111]. Such dots are particularly interesting due to their high degree of symmetry. A streamli ...

Amer Physical Soc2015

Spectroscopy and Dynamics of Barium-doped Helium Nanodroplets

Marcel Drabbels, Evgeniy Loginov

Excitation spectra up to the ionization threshold are reported for barium atoms located on the surface of helium nanodroplets. For states with low principal quantum number, the resonances are substantially broadened and shifted towards higher energy with r ...

American Institute of Physics2012

Structure and Bonding of Isoleptic Coinage Metal (Cu, Ag, Au) Dimethylaminonitrenes in the Gas Phase

Thomas Rizzo, Oleg Boyarkine, Natalia Nagornova, Peter Chen

Dimethylaminonitrene complexes of IMesM+ (IMes = 1,3-bis(2,4,6-trimethylphenyl)- imidazol-2-ylidene; M = Cu, Ag, Au) were prepared in the gas phase and structurally characterized by high-resolution infrared spectroscopy of the cold species, ion-molecule re ...

American Chemical Society2010

Anisotropic relativistic cross sections for inelastic electron scattering, and the magic angle

Cécile Hébert

The knowledge of the inelastic double differential scattering cross section (DDSCS) is of utmost importance for microanalysis in electron energy loss spectrometry (EELS) in the electron microscope and for the investigation of electron energy loss near edge ...

2005

Spectroscopie optique de petits agrégats d'argent et d'or déposés dans une matrice d'argon

Fabien Conus

The absorption spectra of small silver and gold clusters are presented. The experimental technique consists in depositing clusters in an argon matrix which is illuminated with white light. By collecting the outcoming light from the matrix and by analysing ...

EPFL2005