Software update: The ORCA program system—Version 5.0 von Neese, Frank

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Software update: the ORCA program system, version 4.0 von Neese, Frank

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The ORCA program system von Neese, Frank

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The SHARK integral generation and digestion system von Neese, Frank

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Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling von Neese, Frank

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Calculation of the zero-field splitting tensor on the basis of hybrid density functional and Hartree-Fock theory von Neese, Frank

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Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes:  A Case Study von Neese, Frank

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A perspective on the future of quantum chemical software: the example of the ORCA program package von Neese, Frank

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Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations von Neese, Frank

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An efficient and near linear scaling pair natural orbital based local coupled cluster method von Riplinger, Christoph, Neese, Frank

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An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix von Neese, Frank

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A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry von Neese, Frank

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The ORCA quantum chemistry program package von Neese, Frank, Wennmohs, Frank, Becker, Ute, Riplinger, Christoph

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High‐Level Spectroscopy, Quantum Chemistry, and Catalysis: Not just a Passing Fad von Neese, Frank

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An overlap fitted chain of spheres exchange method von Izsák, Róbert, Neese, Frank

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Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory von Neese, Frank

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A spectroscopy oriented configuration interaction procedure von Neese, Frank

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Definition of corresponding orbitals and the diradical character in broken symmetry DFT calculations on spin coupled systems von Neese, Frank

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Development of NOTCH, an all-electron, beyond-NDDO semiempirical method: Application to diatomic molecules von Wang, Zikuan, Neese, Frank

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Chemical applications carried out by local pair natural orbital based coupled-cluster methods von Sparta, Manuel, Neese, Frank

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