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Paderborn University in spring. Show image information

Paderborn University in spring.

Photo: Paderborn University, Kamil Glabica.

Dr. Robert Schade

Contact
Publications
Dr. Robert Schade

Paderborn Center for Parallel Computing (PC2)

Member - Research Assistant - Scientific Advisor Theoretical Physics/Chemistry

Phone:
+49 5251 60-1738
Office:
O2.146
Visitor:
Pohlweg 51
33098 Paderborn
Veröffentlichungen

A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K, Michael Lass, Robert Schade, Rhomas D.Kühne, Christian Plessl; accepted for publication at SC20, https://arxiv.org/abs/2004.10811

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations, J. Chem. Phys. 152, 194103 (2020); https://doi.org/10.1063/5.0007045

PhD. thesis, New methods for the ab-initio simulation of correlated systems, http://hdl.handle.net/11858/00-1735-0000-002E-E5C2-7

Adaptive cluster approximation for reduced density-matrix functional theory, Robert Schade and Peter E. Blöchl, Phys. Rev. B 97, 245131 (2018) https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.245131

Reduced density-matrix functionals from many-particle theory, Robert Schade, Ebad Kamil and Peter Blöchl, Eur. Phys. J. Special Topics 226, 2677-2692 (2017), https://link.springer.com/article/10.1140%2Fepjst%2Fe2017-70046-0

Reduced density-matrix functionals applied to the Hubbard dimer, Ebad Kamil, Robert Schade, Thomas Pruschke, and Peter E. Blöchl, Phys. Rev. B 93, 085141 (2016) https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.085141

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