2 papers
physics.chem-ph2025
One-Shot Simulation of Static Disorder in Quantum Dynamics with Equilibrium Initial State via Matrix Product State Sampling
Zhao Zhang, Jiajun Ren, Wei-Hai Fang
Static disorder plays a crucial role in the electronic dynamics and spectroscopy of complex molecular systems. Traditionally, obtaining observables averaged over static disorder re…
physics.chem-ph2025
Driven similarity renormalization group with a large active space: Applications to oligoacenes, zeaxanthin, and chromium dimer
Chenyang Li, Xiaoxue Wang, Huanchen Zhai +1
We present a new implementation of the driven similarity renormalization group (DSRG) based on a density matrix renormalization group (DMRG) reference. The explicit build of high-o…