146 citations · 146 across the 2 of their papers we have counts for
2 papers
cond-mat.mes-hall2025
Is the atomic quadrupole moment of a carbon atom in graphene zero?: The case for a rational definition of the properties of atoms in a molecule
Devin M. Mulvey, Kenneth D. Jordan, Alston J. Misquitta
It is generally assumed that the carbon atoms of graphitic samples and their finite analogs have sizable quadrupole moments, with the out-of-plane component ( in tr…
physics.comp-ph2020★ 146 cited
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo
P. R. C. Kent, Abdulgani Annaberdiyev, Anouar Benali +21
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and rep…