30 citations · 59 across the 3 of their papers we have counts for
3 papers · 1 filter
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…
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…
Assessing the Performance of the Diffusion Monte Carlo Method as Applied to the Water Monomer, Dimer, and Hexamer
Joel D. Mallory, Sandra E. Brown, Vladimir A. Mandelshtam
The Diffusion Monte Carlo (DMC) method is applied to the water monomer, dimer, and hexamer, using q-TIP4P/F, one of the most simple, empirical water models with flexible monomers.…