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List of works by Dipayan Datta

<sup>57</sup>Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theory

scientific article published on 01 November 2020

A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model

scientific article published on 19 July 2021

A Non-antisymmetric Tensor Contraction Engine for the Automated Implementation of Spin-Adapted Coupled Cluster Approaches.

scientific article published on 17 May 2013

A state-specific partially internally contracted multireference coupled cluster approach.

scientific article

Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster Theory

scientific article published on 19 February 2019

Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.

scientific article published in April 2013

Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

article published in 2016

Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: evaluation of first-order electrical properties.

scientific article published in September 2014

Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure

scientific article published in February 2014

Communication: spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

scientific article published on 01 July 2015

Comparative study of multireference perturbative theories for ground and excited states

scientific article published on 01 November 2009

Inactive excitations in Mukherjee's state-specific multireference coupled cluster theory treated with internal contraction: development and applications

scientific article published on 01 April 2012

Multireference equation-of-motion coupled cluster theory.

scientific article published in November 2012

Recent developments in the general atomic and molecular electronic structure system

scientific article published on 01 April 2020

The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.

scientific article published in February 2011

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