30 citations · 30 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2022★ 30 cited
Reduced-density-matrix-based ab initio cavity quantum electrodynamics
Joel D. Mallory, A. Eugene DePrince
A reduced-density-matrix (RDM)-based approach to {\em ab initio} cavity quantum electrodynamics (QED) is developed. The expectation value of the Pauli-Fierz Hamiltonian is expresse…
physics.chem-ph2015
Binding Energies from Diffusion Monte Carlo for the MB-pol H_2O and D_2O Dimer: A Comparison to Experimental Values
Joel Mallory, Vladimir Mandelshtam
The Diffusion Monte Carlo (DMC) method is applied to compute the ground state energies of the water monomer and dimer and their D 2 O isotopomers using MB-pol; the most recent and…