100 citations · 100 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2020★ 100 cited
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory
A. Eugene DePrince
Quantum electrodynamics coupled-cluster (QED-CC) theory is used to model vacuum-field-induced changes to ground-state properties of a series of sodium halide compounds (NaX, X = F,…
physics.chem-ph2019
The Chronus Quantum (ChronusQ) Software Package
David B. Williams-Young, Alessio Petrone, Shichao Sun +12
The Chronus Quantum (ChronusQ) software package is an open source (under the GNU General Public License v2) software infrastructure which targets the solution of challenging proble…
physics.chem-ph2019
The role of orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix
Run R. Li, A. Eugene DePrince
The direct variational determination of the two-electron reduced-density matrix (2-RDM) is usually carried out under the assumption that the 2-RDM is a real-valued quantity. Howeve…