Publication & Citation Trends
Publications
553 total
Hartree-Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes.
Cited by 2
Semantic Scholar
Rationalizing defect formation energies in metals and semiconductors with semilocal density functionals
Cited by 0
Semantic Scholar
ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals.
Cited by 1
Semantic Scholar
Atomic ionization: sd energy imbalance and Perdew–Zunger self-interaction correction energy penalty in 3d atoms OA
Cited by 3
Semantic Scholar
Effect of the Gradient of the Spin-Polarization in Density Functional Approximations
Cited by 0
Semantic Scholar
{\Delta}SCF Excitation Energies Up a Ladder of Ground-State Density Functionals
Cited by 0
Semantic Scholar
Research Topics
Advanced Chemical Physics Studies
(350)
Spectroscopy and Quantum Chemical Studies
(99)
Machine Learning in Materials Science
(88)
nanoparticles nucleation surface interactions
(51)
Molecular Junctions and Nanostructures
(50)
Affiliations
University College Dublin
Rutgers, The State University of New Jersey
Tulane University
Argonne National Laboratory
Los Alamos National Laboratory