The formulation and implementation of analytic energy gradients for periodic density functional calculations with STO/NAO Bloch basis set
In: MOLECULAR PHYSICS, Jg. 105 (2007), Heft 19-22, S. 2583-2596
serialPeriodical
Zugriff:
Titel: |
The formulation and implementation of analytic energy gradients for periodic density functional calculations with STO/NAO Bloch basis set
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Autor/in / Beteiligte Person: | Kadantsev, E. ; Klooster, R. ; De Boeij, P. ; Ziegler, T. |
Link: | |
Zeitschrift: | MOLECULAR PHYSICS, Jg. 105 (2007), Heft 19-22, S. 2583-2596 |
Veröffentlichung: | 2007 |
Medientyp: | serialPeriodical |
ISSN: | 0026-8976 (print) |
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