University of Groningen
Large Scale Modelling of Photo-Excitation Processes in Materials with Application in Organic
Photovoltaics
Izquierdo Morelos, Maria Antonia
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Publication date: 2019
Link to publication in University of Groningen/UMCG research database
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Izquierdo Morelos, M. A. (2019). Large Scale Modelling of Photo-Excitation Processes in Materials with Application in Organic Photovoltaics. University of Groningen.
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Propositions
belonging to the PhD thesis entitled
Large Scale Modelling of Photo-Excitation Processes in Materials
with Application in Organic Photovoltaics
of
María Antonia Izquierdo Morelos Groningen, 3 May 2019
1) The HOMO-LUMO gap in the Kohn-Sham model is, with respect to Hartree-Fock, neither wrong nor underestimated(E. J. Baerends, O. V. Gritsenko, R. van Meer, Phys. Chem. Chem. Phys. 15:164408, 2013).
2) The notion of size-consistency is a purely chemical concept(M. Nooijen*, K. R. Shama-sundar, D. Mukherjee, Mol. Phys. 103:2277, 2005).
3) Understanding that our “understanding” might be wrong should be the cornerstone of scientific research.
4) The near-degeneracy problem is not solved by standard configurational mixing but by multiconfigurational self-consistent field theory(B. O. Roos, Int. J. Quant. Chem. 18:175, 1980).
5) The development of technologies for organic photovoltaics remains largely empirical due to the difficulties in simulating device current density-voltage characteristics of optoelectronic materials(J. Nelson, Mat. Today, 14:462, 2011).
6) Theory, experimentation, modelling and data science are the four fundamental branches of modern research.
7) A scientist’s desire to know and learn resembles the enthalpy and entropy of a ther-modynamic system.
8) A promotor is to a student what a photon is to an electron.
9) Prime numbers are building blocks of mathematics like atoms are building blocks of matter.
