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Conquering New Frontiers in Conceptual Density Functional Theory: Going Beyond the Single Slater Determinant.

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

New Insights and Horizons from the Linear Response Function in Conceptual DFT. (opens in new window)

Author(s): Paul Geerlings, Stijn Fias, Thijs Stuyver, Paul Ayers, Robert Balawender and Frank De Proft
Published in: Density Functional Theory, 2018
Publisher: IntechOpen
DOI: 10.5772/intechopen.80280

Analogies between Density Functional Theory Response Kernels and Derivatives of Thermodynamic State Functions. (opens in new window)

Author(s): Paul GEERLINGS, Frank DE PROFT, Stijn FIAS
Published in: Acta Physico-Chimica Sinica, Issue Vol. 34, 2018, Page(s) 699-707, ISSN 1000-6818
Publisher: Beijing University Press
DOI: 10.3866/pku.whxb201711221

Alchemical Normal Modes Unify Chemical Space (opens in new window)

Author(s): Stijn Fias, K. Y. Samuel Chang, O. Anatole von Lilienfeld
Published in: The Journal of Physical Chemistry Letters, Issue 10/1, 2018, Page(s) 30-39, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.8b02805

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