23 citations · 61 across the 10 of their papers we have counts for
3 papers · 1 filter
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…
An Efficient Fock Space Multi-reference Coupled Cluster Method based on Natural Orbitals: Theory, Implementation, and Benchmark
Soumi Haldar, Achintya Kumar Dutta
We present a natural orbital-based implementation of the intermediate Hamiltonian Fock space coupled-cluster method for (1,1) sector of Fock space. The use of natural orbital signi…