Publications

Madhumita Rano, Henrik R. Larsson (2025). Computing excited eigenstates using inexact Lanczos methods and tree tensor network states [Editor's Pick]. J. Chem. Phys..

DOI arXiv

Cigrang et al. (2025). Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics. J. Phys. Chem. A..

DOI arXiv

Henrik R. Larsson (2025). Benchmarking Vibrational Spectra: 5000 Accurate Eigenstates of Acetonitrile Using Tree Tensor Network States. J. Phys. Chem. Lett..

DOI arXiv

Imam Wahyutama, Henrik R. Larsson (2024). Simulating Real-Time Molecular Electron Dynamics Efficiently Using the Time-Dependent Density Matrix Renormalization Group. J. Chem. Theory Comput..

DOI arXiv

Henrik R. Larsson, Alexandra Viel (2024). 2500 vibronic eigenstates of the NO3 radical. Phys. Chem. Chem. Phys..

DOI arXiv

Henrik R. Larsson (2023). A Tensor Network View of Multilayer Multiconfiguration Time-Dependent Hartree Methods. Molecular Physics, invited New View article.

DOI arXiv

Huanchen Zhai, Henrik R. Larsson, Seunghoon Lee, Zhi-Hao Cui, Tianyu Zhu, Chong Sun, Linqing Peng, Ruojing Peng, Ke Liao, Johannes Tölle, Junjie Yang, Shuoxue Li, Garnet Kin-Lic Chan (2023). Block2: A Comprehensive Open Source Framework to Develop and Apply State-of-the-Art DMRG Algorithms in Electronic Structure and Beyond. The Journal of Chemical Physics.

DOI

Henrik R. Larsson, Markus Schröder, Richard Beckmann, Fabien Brieuc, Christoph Schran, Dominik Marx, Oriol Vendrell (2022). State-resolved infrared spectrum of the protonated water dimer: Revisiting the characteristic proton transfer doublet peak. Chemical Science.

DOI arXiv

Henrik R. Larsson, Huanchen Zhai, C. J. Umrigar, Garnet Kin-Lic Chan (2022). The chromium dimer: closing a chapter of quantum chemistry. Journal of the American Chemical Society.

DOI arXiv

Henrik R. Larsson, Huanchen Zhai, Klaas Gunst, Garnet Kin-Lic Chan (2021). Matrix product states with large sites. Journal of Chemical Theory and Computation.

DOI arXiv

Henrik R. Larsson, David J. Tannor (2020). Control of concerted back-to-back double ionization dynamics in helium. The Journal of Chemical Physics.

DOI arXiv

Henrik R. Larsson, Carlos A. Jiménez-Hoyos, Garnet Kin-Lic Chan (2020). Minimal matrix product states and generalizations of mean-field and geminal wavefunctions. Journal of Chemical Theory and Computation.

DOI arXiv

Henrik R. Larsson (2019). Computing vibrational eigenstates with tree tensor network states (TTNS) [Editor's Pick]. The Journal of Chemical Physics.

DOI arXiv

Henrik R. Larsson, Jens Riedel, Jie Wei, Friedrich Temps, Bernd Hartke (2018). Resonance dynamics of DCO (X̃ ²A′) simulated with the dynamically pruned discrete variable representation (DP-DVR). The Journal of Chemical Physics.

DOI arXiv

David J. Tannor, Shai Machnes, Elie Assémat, Henrik R. Larsson (2018). Phase Space vs. Coordinate Space Methods: Prognosis for Large Quantum Calculations. Advances in Chemical Physics.

DOI

Doron Azoury, Michael Krüger, Gal Orenstein, Henrik R. Larsson, Sebastian Bauch, Barry D. Bruner, Nirit Dudovich (2017). Self-probing spectroscopy of XUV photo-ionization dynamics in atoms subjected to a strong-field environment. Nature Communications.

DOI

Henrik R. Larsson, D. J. Tannor (2017). Dynamical pruning of the multiconfiguration time-dependent Hartree (DP-MCTDH) method: An efficient approach for multidimensional quantum dynamics. The Journal of Chemical Physics.

DOI arXiv

Henrik R. Larsson (2017). Efficient Approaches to Multidimensional Quantum Dynamics. PhD thesis.

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Henrik R. Larsson, B. Hartke, D. J. Tannor (2016). Efficient molecular quantum dynamics in coordinate and phase space using pruned bases. The Journal of Chemical Physics.

DOI arXiv

S Bauch, Henrik R. Larsson, C Hinz, M Bonitz (2016). The time-dependent generalized active space configuration interaction approach to correlated ionization dynamics of diatomic molecules. Journal of Physics: Conference Series.

DOI

Shai Machnes, Elie Assémat, Henrik R. Larsson, David J. Tannor (2016). Quantum Dynamics in Phase Space using Projected von Neumann Bases. The Journal of Physical Chemistry A.

DOI arXiv

Henrik R. Larsson, S. Bauch, L. K. Sørensen, M. Bonitz (2016). Correlation effects in strong-field ionization of heteronuclear diatomic molecules. Physical Review A.

DOI arXiv

Henrik R. Larsson (2014). Laser-Induced Correlated Electron Dynamics in Small Molecules. Master’s thesis.

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Henrik R. Larsson, Adri C. T. van Duin, Bernd Hartke (2013). Global optimization of parameters in the reactive force field ReaxFF for SiOH. Journal of Computational Chemistry.

DOI arXiv

Henrik R. Larsson, Bernd Hartke (2013). Fitting reactive force fields using genetic algorithms. Computer Methods in Materials Science.

Henrik R. Larsson (2012). Globale Parameteroptimierung des reaktiven Kraftfeldes ReaxFF mit Hilfe von evolutionären Algorithmen. Bacherlor’s thesis.

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