81 citations · 113 across the 28 of their papers we have counts for
3 papers · 1 filter
Frozen natural spinors for Cholesky decomposition based two-component relativistic coupled cluster method
Somesh Chamoli, Xubo Wang, Chaoqun Zhang +2
We present an efficient and cost-effective implementation for the exact two-component atomic mean field (X2CAMF) based coupled cluster (CC) method, which integrates frozen natural…
A relativistic third-order algebraic diagrammatic construction theory for electron detachment, attachment and excitation problems
Sudipta Chakraborty, Tamoghna Mukhopadhyay, Malaya K. Nayak +1
We present the theory and implementation of a highly efficient relativistic third-order algebraic diagrammatic construction [ADC(3)] method based on a four-component (4c) Dirac-Cou…
A Reduced Cost Four-Component Relativistic Unitary Coupled Cluster Method for Molecules
Kamal Majee, Tamoghna Mukhopadhyay, Malaya K. Nayak +1
We present a four-component relativistic unitary coupled cluster method for molecules. We have used commutator-based non-perturbative approximation using the ''Bernoulli expansion'…