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IUPAC Prize for Young
Chemists - 2008
Honorable Mention
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Stefan Knippenberg
receives one of four Honorable Mention awards associated with
the IUPAC Prize for Young Chemists, for his Ph.D. thesis work
entitled entitled "Greens function and Dyson orbital
studies of the electronic structure of cage compounds and flexible
molecules."
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Current address (at the time of application)
Institut für Physikalische und Theoretische Chemie
Johann Wolfgang Goethe Universität Frankfurt
Frankfurt/Main, Germany
E-mail: [email protected]
Academic degrees
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Ph.D., Hasselt University (Belgium), October 2007,
Physical Chemistry Chemical Physics
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Master, Catholic University of Leuven (Belgium),
July 2003, High Energy Physics
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Bachelor: Hasselt University (Belgium), July 2001,
Physics
Ph.D. Thesis
Title Greens function and Dyson orbital studies of
the electronic structure of cage compounds and flexible molecules:
a confrontation of many-body quantum mechanics with electron momentum,
photo electron and Penning ionization electron spectroscopies
Adviser Professor M. S. Deleuze (Department SBG, Hasselt
University, Belgium)
Thesis Committee Prof. E. Nauwelaerts (Departement Wiskunde
Natuurkunde-Informatica, Hasselt University); Prof.. J.-P. François
(Departement Scheikunde-Biologie-Geologie, Hasselt University);
Prof. C. Vanderzande (Departement Wiskunde-Natuurkunde Informatica,
Hasselt University); Prof. A. Ceulemans (Afdeling Kwantumchemie
en Fysicochemie, Catholic University of Leuven); Prof. P. Lievens
(Afdeling Vaste-Stoffysica en Magnetisme, Catholic University of
Leuven); Prof. P. Geerlings (Eenheid Algemene Chemie, Free University
of Brussels); Prof. D. Van Neck (Centrum voor Moleculaire Modellering,
Ghent University); Prof. J. H. D. Eland (Chemistry Department, Oxford
University, United Kingdom); Prof. W. H. E. Schwarz (Theoretische
Chemie, Siegen University, Germany)
Essay
Orbitals are ubiquitous in the quantum theory of matter. It is well
known that, at the molecular level, motions of electrons can only be
statistically described through one-electron waves the orbitals.
For many-electron systems, the consistency of the orbital formalism
can only be assessed by comparing various predictions drawn from quantum
mechanics with a set of experimental observations. In this context,
Electron Momentum Spectroscopy has triggered a revolution in our perception
of the electronic structure of matter. In contrast with most structural
analysis techniques which can only deliver direct information on the
total electron densities, this technique indeed affords direct measurements
in momentum space of the electron density associated to a single ionization
channel (i.e. an orbital in a one-electron picture), through detailed
investigations of the angular dependence of electron impact ionization
intensities. The obtained momentum distributions (MDs) are equivalent
to structure factors derived as the square of the Fourier Transform
of suited orbitals, namely Dyson orbitals, defined as partial overlaps
between the initial (neutral) and final (cationic) wavefunctions in
an ionization process. EMS enables us therefore to directly assess the
intimate relationships that prevail between the configuration and momentum
spaces for specific ionization channels related to well defined electron
energy levels.....[full text;
pdf file - 430KB]
> Back to Prize index page
Page last modified 14 May 2008.
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