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Journal of Computational Chemistry|May 15, 2015
A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theoryAlexander K H Weiss, Christian OchsenfeldJournal of Chemical Theory and Computation|November 22, 2015
Convergence of Electronic Structure with the Size of the QM Region: Example of QM/MM NMR ShieldingsDenis Flaig, Matthias Beer, Christian OchsenfeldThe Journal of Chemical Physics|April 17, 2017
Screening methods for linear-scaling short-range hybrid calculations on CPU and GPU architecturesMatthias Beuerle, Jörg Kussmann, Christian OchsenfeldCommunications Chemistry|April 22, 2026
A detailed comparison of ΔSCF methods with the constraint-based orbital-optimized excited state methodYannick Lemke, Jörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|February 24, 2011
Nuclei-selected NMR shielding calculations: a sublinear-scaling quantum-chemical methodMatthias Beer, Jörg Kussmann, Christian OchsenfeldJournal of Chemical Theory and Computation|June 8, 2022
Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 TheoryLars Urban, Henryk Laqua, Christian OchsenfeldThe Journal of Chemical Physics|January 17, 2019
Linear and sublinear scaling computation of the electronic g-tensor at the density functional theory levelMichael Glasbrenner, Sigurd Vogler, Christian OchsenfeldThe Journal of Chemical Physics|April 2, 2018
Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalizationHenryk Laqua, Jörg Kussmann, Christian OchsenfeldJournal of Chemical Theory and Computation|June 16, 2018
Efficient and Linear-Scaling Seminumerical Method for Local Hybrid Density FunctionalsHenryk Laqua, Jörg Kussmann, Christian OchsenfeldPhysical Chemistry Chemical Physics : PCCP|May 29, 2025
An embedding scheme for constraint-based orbital-optimized excitations in molecular and bulk environmentsYannick Lemke, Jörg Kussmann, Christian OchsenfeldPageof 27