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The Journal of Chemical Physics|August 17, 2018
First-order properties from internally contracted multireference coupled-cluster theory with particular focus on hyperfine coupling tensorsPradipta Kumar Samanta, Andreas KöhnThe Journal of Chemical Physics|September 16, 2024
Accurate determination of excitation energy: An equation-of-motion approach over a bi-exponential coupled cluster theoryAnish Chakraborty, Pradipta Kumar Samanta, Rahul MaitraThe Journal of Chemical Physics|April 10, 2014
Excited states with internally contracted multireference coupled-cluster linear response theoryPradipta Kumar Samanta, Debashis Mukherjee, Matthias Hanauer, et al.Journal of Chemical Theory and Computation|June 14, 2018
Response Formalism within Full Configuration Interaction Quantum Monte Carlo: Static Properties and Electrical ResponsePradipta Kumar Samanta, Nick S Blunt, George H BoothPhysical Chemistry Chemical Physics : PCCP|November 26, 2016
Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H2O2 → H2O + OHThanja Lamberts, Pradipta Kumar Samanta, Andreas Köhn, et al.Journal of Computational Chemistry|February 18, 2015
Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applicationsAvijit Sen, Sangita Sen, Pradipta Kumar Samanta, et al.The Journal of Chemical Physics|July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methodsKai Guther, Robert J Anderson, Nick S Blunt, et al.Pageof 1