The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges von Baiardi, Alberto, Reiher, Markus

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Relativistic Douglas-Kroll-Hess theory von Reiher, Markus

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Douglas–Kroll–Hess Theory: a relativistic electrons-only theory for chemistry von Reiher, Markus

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The Exploration of Chemical Reaction Networks von Unsleber, Jan P, Reiher, Markus

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Automated Selection of Active Orbital Spaces von Stein, Christopher J, Reiher, Markus

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Elucidating reaction mechanisms on quantum computers von Reiher, Markus, Wiebe, Nathan, Svore, Krysta M., Wecker, Dave, Troyer, Matthias

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A human-machine interface for automatic exploration of chemical reaction networks von Steiner, Miguel, Reiher, Markus

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Exact decoupling of the relativistic Fock operator von Peng, Daoling, Reiher, Markus

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An efficient matrix product operator representation of the quantum chemical Hamiltonian von Keller, Sebastian, Dolfi, Michele, Troyer, Matthias, Reiher, Markus

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Spin-adapted matrix product states and operators von Keller, Sebastian, Reiher, Markus

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Reliable Estimation of Prediction Uncertainty for Physicochemical Property Models von Proppe, Jonny, Reiher, Markus

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Spin in density-functional theory von Jacob, Christoph R., Reiher, Markus

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Exploration of Reaction Pathways and Chemical Transformation Networks von Simm, Gregor N, Vaucher, Alain C, Reiher, Markus

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Context-Driven Exploration of Complex Chemical Reaction Networks von Simm, Gregor N, Reiher, Markus

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Second-Order Self-Consistent-Field Density-Matrix Renormalization Group von Ma, Yingjin, Knecht, Stefan, Keller, Sebastian, Reiher, Markus

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An efficient implementation of two-component relativistic exact-decoupling methods for large molecules von Peng, Daoling, Middendorf, Nils, Weigend, Florian, Reiher, Markus

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Local relativistic exact decoupling von Peng, Daoling, Reiher, Markus

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Molecular structure calculations: a unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representati... von Mátyus, Edit, Reiher, Markus

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Nanoscale chemical reaction exploration with a quantum magnifying glass von Csizi, Katja-Sophia, Steiner, Miguel, Reiher, Markus

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Quantum computing enhanced computational catalysis von von Burg, Vera, Low, Guang Hao, Häner, Thomas, Steiger, Damian S., Reiher, Markus, Roetteler, Martin, Troyer, Matthias

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