Dimensionality Reduction of Many-body Problem Using Coupled-cluster Formalism

May 6, 2021

C²QA Quantum Thursdays: Novel and predictive modeling tools for overcoming exponential computational barriers in computational chemistry are needed to describe chemical transformations that involve challenging quasi-degenerate electronic states. These states are commonly encountered in modeling chemical processes related to catalysis, actinide chemistry, nitrogen fixation, and energy storage materials.