9 citations · 9 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022
The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations
Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi +3
In this work density functional theory (DFT) and diffusion Monte Carlo (DMC) methods are used to calculate the binding energy of a H atom chemisorbed on the graphene surface. The P…
physics.chem-ph2020★ 9 cited
The Role of High-Order Electron Correlation Effects in a Model System for Non-valence Correlation-bound Anions
Shiv Upadhyay, Amanda Dumi, James Shee +1
The diffusion Monte Carlo (DMC), auxiliary field quantum Monte Carlo (AFQMC), and equation-of-motion coupled cluster (EOM-CC) methods are used to calculate the electron binding ene…