82 citations · 131 across the 4 of their papers we have counts for
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physics.chem-ph2019★ 82 cited
Excited States via Coupled Cluster Theory without Equation-of-Motion Methods: Seeking Higher Roots with Application to Doubly Excited States and Double Core Hole States
Joonho Lee, David W. Small, Martin Head-Gordon
In this work, we revisited the idea of using the coupled-cluster ground state formalism to target excited states. Our main focus was targeting doubly excited states and double core…
physics.chem-ph2019★ 34 cited
Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma
Joonho Lee, Luke W. Bertels, Martin Head-Gordon
We show that using complex, spin-restricted orbitals (cR) in Kohn-Sham density functional theory (KS-DFT) allows one to access a new class of densities that is not accessible by ei…