Showing 1–16 of 16 results
/ Date/ Name
Nov 16, 2023Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamicsFeb 20, 2023Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equationJul 31, 2024Sampling strategies for expectation values within the Herman--Kluk approximationJun 30, 2023Isotope effects in the electronic spectra of ammonia from ab initio semiclassical dynamicsMar 1, 2024Simulating Molecular Single Vibronic Level Fluorescence Spectra with ab initio Hagedorn Wavepacket DynamicsJan 3, 2024Can increasing the size and flexibility of a molecule reduce decoherence and prolong charge migration?May 13, 2024On Hagedorn wavepackets associated with different GaussiansSep 3, 2024On-the-Fly Ab Initio Hagedorn Wavepacket Dynamics: Single Vibronic Level Fluorescence Spectra of DifluorocarbeneJul 29, 2025Refined approach to cellularization: going from Heller's thawed Gaussian approximation to the Herman--Kluk propagatorAug 21, 2024Capturing anharmonic effects in single vibronic level fluorescence spectra using local harmonic Hagedorn wavepacket dynamicsJul 29, 2025Vibronic spectra at nonzero temperatures from Herman-Kluk coherence thermofield dynamicsApr 8, 2025Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?Mar 18, 2025Ehrenfest dynamics accelerated with SPEEDMay 8, 2026On the single-Hessian Gaussian wavepacket dynamicsJun 30, 2023High-order geometric integrators for the variational Gaussian approximationMar 1, 2024Single vibronic level fluorescence spectra from Hagedorn wavepacket dynamics