most citedAccelerating Coupled Cluster Calculations with Nonlinear Dynamics and Shallow Machine Learning

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physics.comp-ph2021

Assessing the Performance of Nonlinear Regression based Machine Learning Models to Solve Coupled Cluster Theory

Valay Agarawal, Samrendra Roy, Kapil K. Shrawankar +4

The iteration dynamics of the coupled cluster equations exhibits a synergistic relationship among the cluster amplitudes. The iteration scheme may be viewed as a multivariate discr…