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Physical 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 OchsenfeldJournal of Chemical Theory and Computation|November 19, 2015
Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel CalculationsJörg Kussmann, Christian OchsenfeldAngewandte Chemie (International Ed. in English)|December 17, 2016
Reinhart Ahlrichs (1940-2016)Jürgen Gauss, Christian OchsenfeldThe Journal of Chemical Physics|August 11, 2007
Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theoryJörg Kussmann, Christian OchsenfeldJournal of Chemical Theory and Computation|December 11, 2023
Improved Sampling of Adaptive Path Collective Variables by Stabilized Extended-System DynamicsAndreas Hulm, Christian OchsenfeldJournal of the American Chemical Society|July 31, 2015
Unraveling the Base Excision Repair Mechanism of Human DNA GlycosylaseKeyarash Sadeghian, Christian OchsenfeldPageof 18