Global optimization of parameters in the reactive force field ReaxFF for SiOH HR Larsson, ACT van Duin, B Hartke
Journal of computational chemistry 34 (25), 2178-2189, 2013
116 2013 The chromium dimer: closing a chapter of quantum chemistry HR Larsson, H Zhai, CJ Umrigar, GKL Chan
Journal of the American Chemical Society 144 (35), 15932-15937, 2022
80 2022 Computing vibrational eigenstates with tree tensor network states (TTNS) HR Larsson
The Journal of Chemical Physics 151 (20), 204102, 2019
71 2019 Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond H Zhai, HR Larsson, S Lee, ZH Cui, T Zhu, C Sun, L Peng, R Peng, K Liao, ...
The Journal of Chemical Physics 159 (23), 2023
59 2023 Efficient molecular quantum dynamics in coordinate and phase space using pruned bases HR Larsson, B Hartke, DJ Tannor
The Journal of chemical physics 145 (20), 204108, 2016
44 2016 Self-probing spectroscopy of XUV photo-ionization dynamics in atoms subjected to a strong-field environment D Azoury, M Krüger, G Orenstein, HR Larsson, S Bauch, BD Bruner, ...
Nature Communications 8 (1), 1453, 2017
43 2017 Dynamical pruning of the multiconfiguration time-dependent Hartree (DP-MCTDH) method: An efficient approach for multidimensional quantum dynamics HR Larsson, DJ Tannor
The Journal of chemical physics 147 (4), 044103, 2017
34 2017 Matrix product states with large sites HR Larsson, H Zhai, K Gunst, GKL Chan
Journal of Chemical Theory and Computation 18 (2), 749-762, 2022
29 2022 Correlation effects in strong-field ionization of heteronuclear diatomic molecules HR Larsson, S Bauch, LK Sørensen, M Bonitz
Physical Review A 93 (1), 013426, 2016
26 2016 Quantum dynamics in phase space using projected von Neumann bases S Machnes, E Assémat, HR Larsson, DJ Tannor
The Journal of Physical Chemistry A 120 (19), 3296-3308, 2016
20 2016 State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak HR Larsson, M Schröder, R Beckmann, F Brieuc, C Schran, D Marx, ...
Chemical Science 13 (37), 11119-11125, 2022
17 2022 A tensor network view of multilayer multiconfiguration time-dependent Hartree methods HR Larsson
Molecular Physics 122 (14), e2306881, 2024
16 2024 Minimal matrix product states and generalizations of mean-field and geminal wavefunctions HR Larsson, CA Jiménez-Hoyos, GKL Chan
Journal of Chemical Theory and Computation 16 (8), 5057-5066, 2020
15 2020 Fitting reactive force fields using genetic algorithms HR Larsson, B Hartke
Comput. Method Mater. Sci 13 (1), 2013
11 2013 Resonance dynamics of DCO ( HR Larsson, J Riedel, J Wei, F Temps, B Hartke
The Journal of chemical physics 148 (20), 204309, 2018
7 2018 Phase‐Space Versus Coordinate‐Space Methods: Prognosis for Large Quantum Calculations D Tannor, S Machnes, E Assémat, HR Larsson
Advances in Chemical Physics 163, 273-323, 2018
7 2018 The time-dependent generalized active space configuration interaction approach to correlated ionization dynamics of diatomic molecules S Bauch, HR Larsson, C Hinz, M Bonitz
Journal of Physics: Conference Series 696 (1), 012008, 2016
5 2016 Comparing the performance of time-dependent-Schrödinger-equation solvers for the 800-nm, one-electron-atom, strong-field problem BD Esry, Y Wang, D Ursrey, HR Larsson, DJ Tannor, N Douguet, ...
APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2018 …, 2018
3 2018 2500 vibronic eigenstates of the NO3 radical HR Larsson, A Viel
Physical Chemistry Chemical Physics 26, 24506-24523, 2024
2 2024 Control of concerted back-to-back double ionization dynamics in helium HR Larsson, DJ Tannor
The Journal of Chemical Physics 155 (14), 144105, 2021
2 2021 
Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyDirección de correo verificada de caltech.edu
