Ajith Perera

Parallel implementation of electronic structure energy, gradient, and Hessian calculations

Victor F. Lotrich, N. Flocke, Mark Ponton et al. · The Journal of Chemical Physics · 2008 · 168 citations

Numerical Analysis, Engineering, Parallel Implementation +22

Multireference coupled-cluster theory: The easy way

Monika Musiał, Ajith Perera, Rodney J. Bartlett · The Journal of Chemical Physics · 2011 · 143 citations

Cluster Computing, Document Clustering, Engineering +15

Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree–Fock DFT for predicting transition states

Prakash Verma, Ajith Perera, Rodney J. Bartlett · Chemical Physics Letters · 2011 · 94 citations

Quantum Science, Transition States, Engineering +8

Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck–Condon Region

Péter G. Szalay, Thomas J. Watson, Ajith Perera et al. · The Journal of Physical Chemistry A · 2012 · 91 citations

Building Blocks, Coupled Cluster Methods, Localized Excited State +26

Benchmarking for Perturbative Triple-Excitations in EE-EOM-CC Methods

Thomas J. Watson, Victor F. Lotrich, Péter G. Szalay et al. · The Journal of Physical Chemistry A · 2013 · 80 citations

Numerical Analysis, Localized Excited State, Engineering +20