2 papers
physics.chem-ph2025
Stochastic resolution of identity to CC2 for large systems: Oscillator strength and ground state gradient calculations
Chongxiao Zhao, Qi Ou, Chenyang Li +1
An implementation of stochastic resolution of identity (sRI) approximation to CC2 oscillator strengths as well as ground state analytical gradients is presented. The essential 4-in…
physics.chem-ph2023
Stochastic resolution of identity to CC2 for large systems: excited state properties
Chongxiao Zhao, Qi Ou, Joonho Lee +1
We apply a stochastic resolution of identity approximation (sRI) to the CC2 method for excitation energy calculations. A set of stochastic orbitals are employed to decouple the cru…