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Martinus Nooijen

Institution
University of Waterloo

Projects

(emsl3410) Relativistic many-electron theories

Lead Institution
University of Illinois at Urbana-Champaign
Principal Investigator
So Hirata
Project type
Capability Research
We propose to develop a series of highly accurate electron correlation theories (configuration interaction theory upto CISDTQ, coupled-cluster theory upto CCSDTQ, many-body perturbation theory upto…

Benchmarking Localized Coupled Cluster methods in the NWchem package

Lead Institution
University of Waterloo
Principal Investigator
Martinus Nooijen
Project type
Exploratory Research
Using the Tensor Contraction Engine developed by Dr. So Hirata we have implemented a localized coupled cluster approach in NWchem. The present and near-future capabilities of this implementation …