Analytical energy gradients for open-shell local second-order Møller-Plesset perturbation theory and applications to large molecules
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
-
Englisch
- Notes
-
Stuttgart, Universität Stuttgart, Dissertation, 2018
- Keyword
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Molecules
Perturbation (Mathematics)
Ionization
Order
- Event
-
Veröffentlichung
- (where)
-
Stuttgart
- (who)
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Universitätsbibliothek der Universität Stuttgart
- (when)
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2018
- Creator
- Contributor
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Werner, Hans-Joachim
- DOI
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10.18419/opus-10007
- URN
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urn:nbn:de:bsz:93-opus-ds-100241
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
- 15.08.2025, 7:31 AM CEST
Data provider
This object is provided by:
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Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Dornbach, Mark
- Werner, Hans-Joachim
- Universitätsbibliothek der Universität Stuttgart
Time of origin
- 2018
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Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
Measurement of second-order response without perturbation
Quasiparticle energies from second-order perturbation theory
Stateless neural meta-learning using second-order gradients
Interference-corrected explicitly-correlated second-order perturbation theory
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Efficient quantum-chemical methods for calculating NMR shieldings in second-order Møller-Plesset perturbation theory
Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
Measurement of second-order response without perturbation
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Stateless neural meta-learning using second-order gradients
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