23 citations · 61 across the 10 of their papers we have counts for
11 papers
Reduced-Cost Four-Component Relativistic Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with 4-Hole--2-Particle Excitations and Three-Body Clusters
Tamoghna Mukhopadhyay, Madhubani Mukherjee, Karthik Gururangan +2
The double ionization potential (DIP) equation-of-motion (EOM) coupled-cluster (CC) method with 4-hole--2-particle (4-2) excitations on top of the CC with singles, doubles, a…
Double Ionization Potential Equation-of-Motion Coupled-Cluster Approach with Full Inclusion of 4-Hole-2-Particle Excitations and Three-Body Clusters
Karthik Gururangan, Achintya Kumar Dutta, Piotr Piecuch
The double ionization potential (DIP) equation-of-motion (EOM) coupled-cluster (CC) method with a full treatment of 4-hole-2-particle (4-2) correlations and triply excited cl…
Spin-free exact two-component linear response coupled cluster theory for estimation of frequency-dependent second-order property
Sudipta Chakraborty, Tamoghna Mukhopadhyay, Achintya Kumar Dutta
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCS…
Relativistic equation-of-motion coupled-cluster theory analysis of black-body radiation shift in the clock transition of Zn I
Somesh Chamoli, Anmol Mishra, Richa Sharma Kesarkar +2
We have employed equation-of-motion coupled-cluster (EOM-CC) method in the four-component relativistic theory framework to understand roles of electron correlation effects in the $…
A Similarity Transformed Second-order Approximate Coupled Cluster Method for the Excited States: Theory, Implementation, and Benchmark
Soumi Haldar, Achintya Kumar Dutta
We present a novel and cost-effective approach of using a second similarity transformation of the Hamiltonian to include the missing higher-order terms in the second-order approxim…
A Doorway mechanism for Electron Attachment Induced DNA Strand Break
Jishnu Narayanan S J, Divya Tripathi, Achintya Kumar Dutta
We report a new doorway mechanism for the dissociative electron attachment to genetic materials. The dipole-bound state of the nucleotide anion acts as the doorway for electron cap…