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Eine Ebene nach oben |
Gruppiert nach: Dokumententyp |
Veröffentlichungsdatum
Anzahl der Publikationen: 6
2019
Graf, Daniel; Beuerle, Matthias und Ochsenfeld, Christian
(2019):
Low-Scaling Self-Consistent Minimization of a Density Matrix Based Random Phase Approximation Method in the Atomic Orbital Space.
In: Journal of Chemical Theory and Computation, Bd. 15, Nr. 8: S. 4468-4477
2018
Graf, Daniel; Beuerle, Matthias; Schurkus, Henry F.; Luenser, Arne; Savasci, Goekcen und Ochsenfeld, Christian
(2018):
Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method.
In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 5: S. 2505-2515
Beuerle, Matthias; Graf, Daniel; Schurkus, Henry F. und Ochsenfeld, Christian
(2018):
Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalism.
In: Journal of Chemical Physics, Bd. 148, Nr. 20, 204104
Beuerle, Matthias und Ochsenfeld, Christian
(2018):
Low-scaling analytical gradients for the direct random phase approximation using an atomic orbital formalism.
In: Journal of Chemical Physics, Bd. 149, Nr. 24, 244111
2017
Beuerle, Matthias; Kussmann, Jörg und Ochsenfeld, Christian
(2017):
Screening methods for linear-scaling short-range hybrid calculations on CPU and GPU architectures.
In: Journal of Chemical Physics, Bd. 146, Nr. 14, 144108
Beuerle, Matthias und Ochsenfeld, Christian
(2017):
Short-range second order screened exchange correction to RPA correlation energies.
In: Journal of Chemical Physics, Bd. 147, Nr. 20, 204107