Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.
In: Journal of Computational Chemistry, Jg. 38 (2017-02-05), Heft 4, S. 238-250
Online
academicJournal
Zugriff:
Titel: |
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.
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Autor/in / Beteiligte Person: | Schlüns, Danny ; Franchini, Mirko ; Götz, Andreas W. ; Neugebauer, Johannes ; Jacob, Christoph R. ; Visscher, Lucas |
Link: | |
Zeitschrift: | Journal of Computational Chemistry, Jg. 38 (2017-02-05), Heft 4, S. 238-250 |
Veröffentlichung: | 2017 |
Medientyp: | academicJournal |
ISSN: | 0192-8651 (print) |
DOI: | 10.1002/jcc.24670 |
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