A. Van Yperen-De Deyne

Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach

A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, M. Waroquier

P37

Poster

Conference / event / venue

DFTM2012

Ghent University, Het Pand, Ghent, Belgium

Sunday, 1 April, 2012 to Friday, 6 April, 2012

Ab-initio study of Cr(CN)6 centers in NaCl crystals

A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Comp.Chemistry Summer School

Essen, Germany

Tuesday, 22 September, 2009 to Friday, 25 September, 2009

Theoretische en computationele aspecten van zero-field splitting berekeningen aan transitiemetaal-defecten in ionaire roosters

A. Van Yperen-De Deyne

Master of Science in Engineering Physics

2009

Supervisors

Prof. Dr. Michel Waroquier, Dr. Ewald Pauwels

Dr. ir. Andy Van Yperen-De Deyne

Computational Spectroscopy, in particular:
- UV/Vis and Fluorescence spectroscopy
- Infrared and Raman spectroscopy
- Electron Paramagnetic Resonance spectroscopy
Molecular Dynamics
Time-Dependent Density Functional Theory
Transition metals and heavy elements

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