52 citations · 141 across the 3 of their papers we have counts for
3 papers
Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories
Marcus D. Liebenthal, Nam Vu, A. Eugene DePrince
Cavity quantum electrodynamics (QED) generalizations of time-dependent (TD) density functional theory (DFT) and equation-of-motion (EOM) coupled-cluster (CC) theory are used to mod…
Enhanced diastereocontrol via strong light-matter interactions in an optical cavity
Nam Vu, Grace M. McLeod, Kenneth Hanson +1
The enantiopurification of racemic mixtures of chiral molecules is important for a range of applications. Recent work has shown that chiral group-directed photoisomerization is a p…
Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment
Marcus D. Liebenthal, Nam Vu, A. Eugene DePrince
The electron attachment variant of equation-of-motion coupled-cluster theory (EOM-EA-CC) is generalized to the case of strong light-matter coupling within the framework of cavity q…