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Journal of Chemical Theory and Computation|February 12, 2026
n-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State DynamicsValentin Barandun, Nina Glaser, Markus ReiherChimia|April 27, 2024
Solving Intractable Chemical Problems by Tensor DecompositionNina Glaser, Markus ReiherThe Journal of Physical Chemistry. A|August 1, 2025
QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization GroupKalman Szenes, Nina Glaser, Mihael Erakovic, et al.Journal of Chemical Theory and Computation|December 7, 2023
Flexible DMRG-Based Framework for Anharmonic Vibrational CalculationsNina Glaser, Alberto Baiardi, Markus ReiherThe Journal of Physical Chemistry Letters|June 28, 2024
Vibrational Entanglement through the Lens of Quantum Information MeasuresNina Glaser, Alberto Baiardi, Annina Z Lieberherr, et al.Inorganic Chemistry|December 10, 2002
Theoretical study of the Fe(phen)(2)(NCS)(2) spin-crossover complex with reparametrized density functionalsMarkus ReiherFaraday Discussions|March 3, 2007
On the definition of local spin in relativistic and nonrelativistic quantum chemistryMarkus ReiherJournal of Chemical Theory and Computation|May 12, 2021
Automated Construction of Quantum-Classical Hybrid ModelsChristoph Brunken, Markus ReiherJournal of Computational Chemistry|January 22, 2004
Vibrational center-ligand couplings in transition metal complexesJohannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|January 7, 2005
Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary orderMarkus Reiher, Alexander WolfPageof 26