15 citations · 15 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2020★ 15 cited
Minimal matrix product states and generalizations of mean-field and geminal wavefunctions
Henrik R. Larsson, Carlos A. Jiménez-Hoyos, Garnet Kin-Lic Chan
Simple wavefunctions of low computational cost but which can achieve qualitative accuracy across the whole potential energy surface (PES) are of relevance to many areas of electron…
physics.comp-ph2019
Global optimization of parameters in the reactive force field ReaxFF for SiOH
H. R. Larsson, A. C. T. van Duin, B. Hartke
We have used unbiased global optimization to fit a reactive force field to a given set of reference data. Specifically, we have employed genetic algorithms (GA) to fit ReaxFF to Si…
physics.chem-ph2019
Computing vibrational eigenstates with tree tensor network states (TTNS)
Henrik R. Larsson
We present how to compute vibrational eigenstates with tree tensor network states (TTNSs), the underlying ansatz behind the multilayer multiconfiguration time-dependent Hartree (ML…