3 papers
quant-ph2026
Reduced Dynamical Maps in Finite Temperature Vibronic Coupling Models via Choi Matrices: Numerical Methods and Applications
Raffaele Borrelli, Hideaki Takahashi
We present a streamlined implementation of a computational framework for constructing and analyzing reduced dynamical maps for complex system--bath models at finite temperature. Th…
quant-ph2024
Discretization of Structured Bosonic Environments at Finite Temperature by Interpolative Decomposition: Theory and Application
Hideaki Takahashi, Raffaele Borrelli
We present a comprehensive theory for a novel method to discretize the spectral density of a bosonic heat bath, as introduced in [H. Takahashi and R. Borrelli, J. Chem. Phys. \text…
physics.chem-ph2024
Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces
Riley J. Preston, Yaling Ke, Samuel L. Rudge +4
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamical steering effects during chemical surface dynamics. We prese…