2 papers
physics.chem-ph2026
Localized intrinsic bond orbitals decode correlated charge migration dynamics
Imam S. Wahyutama, Madhumita Rano, Henrik R. Larsson
For decades, scientists have studied the intricate charge migration dynamics, where after ionization a localized charge distribution ("hole") migrates across the molecule on a femt…
physics.chem-ph2025
Computing excited eigenstates using inexact Lanczos methods and tree tensor network states
Madhumita Rano, Henrik R. Larsson
To understand the dynamics of quantum many-body systems, it is essential to study excited eigenstates. While tensor network states have become a standard tool for computing ground…