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Journal of Chemical Theory and Computation|April 17, 2018
Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation MethodDaniel Graf, Matthias Beuerle, Henry F Schurkus, et al.Inorganic Chemistry|July 11, 2026
Tuning Connectivity in Hybrid Organic-Inorganic Antimony Halides through Reactant Concentration EffectsJakob Blahusch, Julia Rauh, Petra Rovo, et al.Journal of Chemical Theory and Computation|November 18, 2015
Spin component-scaled second-order Møller-Plesset perturbation theory for calculating NMR shieldingsMarina Maurer, Christian OchsenfeldJournal of Chemical Theory and Computation|March 9, 2017
Quantum-Chemical Study of the Discrimination against dNTP in the Nucleotide Addition Reaction in the Active Site of RNA Polymerase IISven Roßbach, Christian OchsenfeldJournal of Chemical Theory and Computation|December 28, 2020
The Enzymatic Decarboxylation Mechanism of 5-Carboxy Uracil: A Comprehensive Quantum Chemical StudyAndrea Kreppel, Christian OchsenfeldPhysical Chemistry Chemical Physics : PCCP|May 14, 2013
An extrapolation method for the efficient calculation of molecular response properties within Born-Oppenheimer molecular dynamicsDenis Flaig, Christian OchsenfeldThe Journal of Chemical Physics|April 12, 2013
Pre-selective screening for matrix elements in linear-scaling exact exchange calculationsJörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|April 10, 2008
Linear-scaling fixed-node diffusion quantum Monte Carlo: accounting for the nodal information in a density matrix-based schemeJörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|June 17, 2008
Efficient linear-scaling calculation of response properties: density matrix-based Laplace-transformed coupled-perturbed self-consistent field theoryMatthias Beer, Christian OchsenfeldThe Journal of Physical Chemistry. A|September 6, 2024
Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation Using Cholesky-Decomposed Densities and an Attenuated Coulomb MetricViktoria Drontschenko, Christian OchsenfeldPageof 27