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Avijit Shee

Showing results (1-10 of 21) with videos related to

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Journal of Chemical Theory and Computation|September 14, 2019
Coupled Cluster as an Impurity Solver for Green's Function Embedding MethodsAvijit Shee, Dominika Zgid
Journal of Chemical Theory and Computation|November 20, 2015
Exploration of Various Aspects of UGA-SUMRCC: Size Extensivity, Possible Use of Sufficiency Conditions, and an Extension for Direct Determination of Energy DifferencesAvijit Shee, Sangita Sen, Debashis Mukherjee
The Journal of Chemical Physics|August 28, 2012
Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energiesSangita Sen, Avijit Shee, Debashis Mukherjee
The Journal of Chemical Physics|February 10, 2018
Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elementsSangita Sen, Avijit Shee, Debashis Mukherjee
Physical Chemistry Chemical Physics : PCCP|April 1, 2015
A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimersAvijit Shee, Stefan Knecht, Trond Saue
Physical Chemistry Chemical Physics : PCCP|May 25, 2016
Nuclear size effects in vibrational spectraAdel Almoukhalalati, Avijit Shee, Trond Saue
The Journal of Chemical Physics|November 17, 2016
Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit couplingAvijit Shee, Lucas Visscher, Trond Saue
Journal of Chemical Theory and Computation|January 6, 2022
Exploring Coupled Cluster Green's Function as a Method for Treating System and Environment in Green's Function Embedding MethodsAvijit Shee, Chia-Nan Yeh, Dominika Zgid
The Journal of Chemical Physics|March 24, 2025
Real-time propagation of adaptive sampling selected configuration interaction wave functionsAvijit Shee, Zhen Huang, Martin Head-Gordon, et al.
The Journal of Chemical Physics|November 10, 2018
Equation-of-motion coupled-cluster theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited statesAvijit Shee, Trond Saue, Lucas Visscher, et al.
Pageof 3

Showing results (1-10 of 21) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|September 14, 2019
Coupled Cluster as an Impurity Solver for Green's Function Embedding MethodsAvijit Shee, Dominika Zgid
Journal of Chemical Theory and Computation|November 20, 2015
Exploration of Various Aspects of UGA-SUMRCC: Size Extensivity, Possible Use of Sufficiency Conditions, and an Extension for Direct Determination of Energy DifferencesAvijit Shee, Sangita Sen, Debashis Mukherjee
The Journal of Chemical Physics|August 28, 2012
Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energiesSangita Sen, Avijit Shee, Debashis Mukherjee
The Journal of Chemical Physics|February 10, 2018
Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elementsSangita Sen, Avijit Shee, Debashis Mukherjee
Physical Chemistry Chemical Physics : PCCP|April 1, 2015
A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimersAvijit Shee, Stefan Knecht, Trond Saue
Physical Chemistry Chemical Physics : PCCP|May 25, 2016
Nuclear size effects in vibrational spectraAdel Almoukhalalati, Avijit Shee, Trond Saue
The Journal of Chemical Physics|November 17, 2016
Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit couplingAvijit Shee, Lucas Visscher, Trond Saue
Journal of Chemical Theory and Computation|January 6, 2022
Exploring Coupled Cluster Green's Function as a Method for Treating System and Environment in Green's Function Embedding MethodsAvijit Shee, Chia-Nan Yeh, Dominika Zgid
The Journal of Chemical Physics|March 24, 2025
Real-time propagation of adaptive sampling selected configuration interaction wave functionsAvijit Shee, Zhen Huang, Martin Head-Gordon, et al.
The Journal of Chemical Physics|November 10, 2018
Equation-of-motion coupled-cluster theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited statesAvijit Shee, Trond Saue, Lucas Visscher, et al.
Pageof 3