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Profile
| Academic position | Lecturer, Assistant Professor, Researcher |
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| Research fields | Theoretical Chemistry: Electron Structure, Dynamics, Simulation |
| Keywords | multireference, open-shell, coupled cluster theory, quantum chemistry, ab initio |
Current contact address
| Country | United States of America |
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| City | Atlanta |
| Institution | Emory University |
| Institute | Department of Chemistry |
| Homepage | www.evangelistalab.org |
Host during sponsorship
| Prof. Dr. Jürgen Gauß | Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, Mainz |
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| Start of initial sponsorship | 01/03/2010 |
Programme(s)
| 2009 | Humboldt Research Fellowship Programme for Postdocs |
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Publications (partial selection)
| 2012 | Francesco A. Evangelista, Matthias Hanauer, Andreas Köhn, Jürgen Gauss: A sequential transformation approach to the internally contracted multireference coupled cluster method. In: Journal of Chemical Physics, 2012, 204108 |
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| 2011 | Francesco A. Evangelista: Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better. In: Journal of Chemical Physics, 2011, 224102 |
| 2011 | Francesco A. Evangelista, Jürgen Gauss: An orbital-invariant internally contracted multireference coupled cluster approach. In: Journal of Chemical Physics, 2011, 114102 |
| 2010 | Francesco A. Evangelista, Jürgen Gauss: Insights into the orbital invariance problem in state-specific multireference coupled cluster theory. In: Journal of Chemical Physics, 2010, 044101-1-044101-5 |