21 citations · 69 across the 13 of their papers we have counts for
4 papers · 1 filter
Fixing the Catastrophic Break-down of Single Reference Coupled Cluster Theory for Strongly Correlated Systems: Two Paradigms towards the Implicit Inclusion of High Rank Correlation with Low-Spin Channels
Anish Chakraborty, Rahul Maitra
The dual exponential coupled cluster (CC) theory proposed by Tribedi et al.[J. Chem. Theory Comput. 2020, 16, 10, 6317-6328] performs significantly better than the coupled cluster…
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy
Chayan Patra, Valay Agarawal, Dipanjali Halder +4
The coupled cluster iteration scheme for determining the cluster amplitudes involves a set of nonlinearly coupled difference equations. In the space spanned by the amplitudes, the…
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…
An Approximate Coupled Cluster Theory via Nonlinear Dynamics and Synergetics: the Adiabatic Decoupling Conditions
Valay Agarawal, Chayan Patra, Rahul Maitra
The coupled cluster iteration scheme is analysed as a multivariate discrete-time map using nonlinear dynamics and synergetics. The nonlinearly coupled set of equations to determine…