2 papers
physics.chem-ph2026
Momentum Rescaling for Collapse to a Block Ehrenfest Dynamics
Ari R. X. Pereira, Benjamin G. Levine
The Ehrenfest with collapse to a block (TAB) algorithm has recently been demonstrated to efficiently and accurately simulate nonadiabatic molecular dynamics in dense manifolds of e…
physics.chem-ph2026
Simulating Electron Dynamics with GPU-Accelerated Real-Time Tamm-Dancoff Approximation
Thomas Knoll, Benjamin G. Levine
Time-dependent electronic structure methods provide an efficient, accurate, and robust alternative to traditional time dependent methods for computing both linear and non-linear op…