Jörg Kussmann
6PUBLICATIONS
3CO-AUTHORS
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Publications (6)
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|Jul 09, 2021
Accelerating seminumerical Fock-exchange calculations using mixed single- and double-precision arithmethic.Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
|Sep 06, 2020
A Fermi smearing variant of the Tamm-Dancoff approximation for nonadiabatic dynamics involving S<sub>1</sub>-S<sub>0</sub> transitions: Validation and application to azobenzene.Laurens D M Peters, Jörg Kussmann, Christian Ochsenfeld
|May 24, 2019
Calculating free energies from the vibrational density of states function: Validation and critical assessment.Laurens D M Peters, Johannes C B Dietschreit, Jörg Kussmann
|Dec 04, 2018
An improved molecular partitioning scheme for numerical quadratures in density functional theory.Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
|Apr 02, 2018
Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
|Apr 17, 2017
Screening methods for linear-scaling short-range hybrid calculations on CPU and GPU architectures.Matthias Beuerle, Jörg Kussmann, Christian Ochsenfeld
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