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Dipayan Datta

Showing results (1-10 of 22) with videos related to

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Journal of Chemical Theory and Computation|November 20, 2015
A Non-antisymmetric Tensor Contraction Engine for the Automated Implementation of Spin-Adapted Coupled Cluster ApproachesDipayan Datta, Jürgen Gauss
The Journal of Chemical Physics|December 5, 2012
Multireference equation-of-motion coupled cluster theoryDipayan Datta, Marcel Nooijen
The Journal of Chemical Physics|September 15, 2014
Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: evaluation of first-order electrical propertiesDipayan Datta, Jürgen Gauss
The Journal of Chemical Physics|August 7, 2009
An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applicationsDipayan Datta, Debashis Mukherjee
The Journal of Chemical Physics|July 10, 2015
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 schemeDipayan Datta, Jürgen Gauss
The Journal of Chemical Physics|February 10, 2011
The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theoryDipayan Datta, Debashis Mukherjee
Journal of Chemical Theory and Computation|January 31, 2019
Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster TheoryDipayan Datta, Jürgen Gauss
Journal of Chemical Theory and Computation|July 19, 2021
A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization ModelDipayan Datta, Mark S Gordon
Journal of Chemical Theory and Computation|October 25, 2023
Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP DirectivesDipayan Datta, Mark S Gordon
The Journal of Chemical Physics|June 14, 2011
A state-specific partially internally contracted multireference coupled cluster approachDipayan Datta, Liguo Kong, Marcel Nooijen
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|November 20, 2015
A Non-antisymmetric Tensor Contraction Engine for the Automated Implementation of Spin-Adapted Coupled Cluster ApproachesDipayan Datta, Jürgen Gauss
The Journal of Chemical Physics|December 5, 2012
Multireference equation-of-motion coupled cluster theoryDipayan Datta, Marcel Nooijen
The Journal of Chemical Physics|September 15, 2014
Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: evaluation of first-order electrical propertiesDipayan Datta, Jürgen Gauss
The Journal of Chemical Physics|August 7, 2009
An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applicationsDipayan Datta, Debashis Mukherjee
The Journal of Chemical Physics|July 10, 2015
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 schemeDipayan Datta, Jürgen Gauss
The Journal of Chemical Physics|February 10, 2011
The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theoryDipayan Datta, Debashis Mukherjee
Journal of Chemical Theory and Computation|January 31, 2019
Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster TheoryDipayan Datta, Jürgen Gauss
Journal of Chemical Theory and Computation|July 19, 2021
A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization ModelDipayan Datta, Mark S Gordon
Journal of Chemical Theory and Computation|October 25, 2023
Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP DirectivesDipayan Datta, Mark S Gordon
The Journal of Chemical Physics|June 14, 2011
A state-specific partially internally contracted multireference coupled cluster approachDipayan Datta, Liguo Kong, Marcel Nooijen
Pageof 3