3 citations · 3 across the 5 of their papers we have counts for
3 papers · 1 filter
Multireference equation-of-motion driven similarity renormalization group for X-ray photoelectron spectra
Shuhang Li, Zijun Zhao, Francesco A. Evangelista
We formulate and implement the core-valence separated multireference equation-of-motion driven similarity renormalization group method (CVS-IP-EOM-DSRG) for simulating X-ray photoe…
Multireference equation-of-motion driven similarity renormalization group: theoretical foundations and applications to ionized states
Zijun Zhao, Shuhang Li, Francesco A. Evangelista
We present a formulation and implementation of an equation-of-motion (EOM) extension of the multireference driven similarity renormalization group (MR-DSRG) formalism for ionizatio…
Equation-of-motion internally contracted multireference unitary coupled-cluster theory
Shuhang Li, Zijun Zhao, Francesco A. Evangelista
The accurate computation of excited states remains a challenge in electronic structure theory, especially for systems with a ground state that requires a multireference treatment.…