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Sangita Sen
Sangita Sen
Associate Professor, IISER, Kolkata
Dirección de correo verificada de iiserkol.ac.in - Página principal
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Excited states of molecules in strong uniform and nonuniform magnetic fields
S Sen, KK Lange, EI Tellgren
Journal of chemical theory and computation 15 (7), 3974-3990, 2019
392019
A study of the ionisation and excitation energies of core electrons using a unitary group adapted state universal approach
S Sen, A Shee, D Mukherjee
Molecular Physics 111 (16-17), 2625-2639, 2013
352013
Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields
S Sen, EI Tellgren
The Journal of Chemical Physics 148 (18), 2018
282018
Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: Excited and ionized state energies
S Sen, A Shee, D Mukherjee
The Journal of Chemical Physics 137 (7), 2012
282012
Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications
A Sen, S Sen, PK Samanta, D Mukherjee
Journal of Computational Chemistry 36 (9), 670-688, 2015
222015
Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians …
S Sen, A Shee, D Mukherjee
The Journal of Chemical Physics 148 (5), 2018
182018
LONDON, a quantum-chemistry program for plane-wave
E Tellgren, T Helgaker, A Soncini, KK Lange, AM Teale, U Ekström, ...
GTO hybrid basis sets and finite magnetic field calculations, 2018
162018
Aspects of size-consistency of Orbitally noninvariant size-extensive multireference perturbation theories: A case study using UGA-SSMRPT2 as a prototype
A Sen, S Sen, D Mukherjee
Journal of Chemical Theory and Computation 11 (9), 4129-4145, 2015
162015
Benchmarking density functional approximations for diamagnetic and paramagnetic molecules in nonuniform magnetic fields
S Sen, EI Tellgren
Journal of Chemical Theory and Computation 17 (3), 1480-1496, 2021
142021
A local tensor that unifies kinetic energy density and vorticity in density functional theory
S Sen, EI Tellgren
The Journal of Chemical Physics 149 (14), 2018
142018
Aspects of size extensivity in unitary group adapted multi-reference coupled cluster theories: the role of cumulant decomposition of spin-free reduced density matrices
R Maitra, D Sinha, S Sen, D Mukherjee
Theoretical Chemistry Accounts 133, 1-23, 2014
92014
Exploration of Various Aspects of UGA-SUMRCC: Size Extensivity, Possible Use of Sufficiency Conditions, and an Extension for Direct Determination of Energy Differences
A Shee, S Sen, D Mukherjee
Journal of Chemical Theory and Computation 9 (6), 2573-2590, 2013
62013
Recent advances in spin-free state-specific and state-universal multi-reference coupled cluster formalisms: A unitary group adapted approach
R Maitra, D Sinha, S Sen, A Shee, D Mukherjee
AIP Conference Proceedings 1456 (1), 81-96, 2012
32012
Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. II. Density-based methods
S Chanda, S Saha, S Sen
The Journal of Chemical Physics 162 (2), 2025
22025
Reappraisal of the normal ordered Jeziorski-Monkhorst ansatz in the UGA-OSCC theory for a study of IP, EA and EE
D Chakravarti, S Sen, D Mukherjee
Molecular Physics 119 (21-22), e1979676, 2021
22021
Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. I. Wavefunction-based methods
S Chanda, S Sen
The Journal of Chemical Physics 161 (17), 2024
12024
A systematic improvement to UGA-SSMRCCSD equations and its implication for potential energy curves
D Chakravarti, S Sen, D Mukherjee
The Journal of Chemical Physics 159 (13), 2023
12023
Energy Response of Atomic and Molecular Orbitals in Nonuniform Magnetic Fields
A Kantholi, N Yenugu, S Sen
The Journal of Physical Chemistry A, 2025
2025
Multi-reference coupled-cluster studies on the effect of dynamical and non-dynamical correlation on molecular energies and properties
S Sen
Index No. 109/11/Chem./21;, 0
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Artículos 1–19