2 papers
physics.chem-ph2026
Preparation and control of electronic wave packets in neutral molecules via attosecond x-ray processes
Emanuele Rossi, Stasis Chuchurka, Kaushik D. Nanda +3
We present a perturbative framework for computing the dynamics of an electronic wave packet launched by an attosecond x-ray pulse in a neutral molecule. The x-ray pulse excites the…
physics.chem-ph2025
Equation-of-motion Coupled-cluster singles, doubles and(full) triples for doubly ionized and two-electron-attached states: A Computational implementation
Manisha, Prashant Uday Manohar, Anna I Krylov
We present our computational implementation of the equation-of-motion (EOM) coupled-cluster (CC) singles, doubles, and triples (SDT) method for computing doubly ionized (DIP) and t…