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Frank Neese
Professor of Theoretical Chemistry
MPI für Kohlenforschung
Latest
Response of a General Restricted Open-Shell Hartree-Fock Wave Function. I: Formalism, Analytic Gradients, and Electric and Magnetic Response Properties
Efficient Implementation of Approximate Fourth Order N-Electron Valence State Perturbation Theory
A perspective on the future of quantum chemical software: the example of the ORCA program package
Code generation in ORCA: progress, efficiency and tight integration
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