17 citations · 30 across the 6 of their papers we have counts for
6 papers
Accurate determination of excitation energy: An equation-of-motion approach over a bi-exponential Coupled Cluster theory
Anish Chakraborty, Pradipta Kumar Samanta, Rahul Maitra
The calculation of molecular excited states is critically important to decipher a plethora of molecular properties. In this manuscript, we develop an equation of motion formalism o…
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…
Relativistic Normal Coupled-cluster Theory Analysis of Second- and Third-order Electric Polarizabilities of Zn I
A. Chakraborty, S. K. Rithvik, B. K. Sahoo
We present precise values of electric polarizabilities for the ground state of Zn due to second-order dipole and quadrupole interactions, and due to third-order dipole-quadrupole i…
Accelerating Coupled Cluster Calculations with Nonlinear Dynamics and Shallow Machine Learning
Valay Agarawal, Samrendra Roy, Anish Chakraborty +1
The dynamics associated with the time series of the iteration scheme of coupled cluster theory has been analysed. The phase space analysis indicates the presence of a few significa…
Stability analysis of a double similarity transformed coupled cluster theory
Valay Agarawal, Anish Chakraborty, Rahul Maitra
In this paper, we have analysed the time series associated with the iterative scheme of a double similarity transformed Coupled Cluster theory. The coupled iterative scheme to solv…