Indian Institute of Science Education and Research Kolkata
QuantAct
Through The Quantum Glass...
Journal Publications
Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. II. Density-based methods
Shamik Chanda , Subhasish Saha, Sangita Sen
J. Chem. Phys. 162, 024111 (2025)
Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. I. Wavefunction-based methods
Shamik Chanda , Sangita Sen
J. Chem. Phys. 161, 174117 (2024)
A systematic improvement to UGA-SSMRCCSD equations and its implication for potential energy curves
Dibyajyoti Chakravarti , Sangita Sen, Debashis Mukherjee
J. Chem. Phys. 159, 134102 (2023)
Reappraisal of the normal ordered Jeziorski-Monkhorst ansatz in the UGA-OSCC theory for a study of IP, EA and EE
Dibyajyoti Chakravarti , Sangita Sen, Debashis Mukherjee
Molecular Physics 119, no. 21-22 (2021): e1979676
Benchmarking density functional approximations for diamagnetic and paramagnetic molecules in nonuniform magnetic fields
Sen, Sangita, Erik I. Tellgren
Journal of Chemical Theory and Computation 17.3 (2021): 1480-1496
Excited states of molecules in strong uniform and nonuniform magnetic fields
Sen, Sangita, Kai K. Lange, and Erik I. Tellgren
Journal of Chemical Theory and Computation 15.7 (2019): 3974-3990
A local tensor that unifies kinetic energy density and vorticity in density functional theory
Sen, Sangita, Erik I. Tellgren
The Journal of Chemical Physics 149.14 (2018)
Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields
Sen, Sangita, Erik I. Tellgren
The Journal of Chemical Physics 148.18 (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 elements
Sen, Sangita, Avijit Shee, Debashis Mukherjee
The Journal of Chemical Physics 148.5 (2018)
Aspects of size-consistency of Orbitally noninvariant size-extensive multireference perturbation theories: A case study using UGA-SSMRPT2 as a prototype
Sen, Avijit, Sangita Sen, and Debashis Mukherjee
Journal of Chemical Theory and Computation 11.9 (2015): 4129-4145
Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications
Avijit Sen, Sangita Sen, Pradipta Kumar Samanta, Debashis Mukherjee
Journal of Computational Chemistry 36.9 (2015): 670-688
Aspects of size extensivity in unitary group adapted multi-reference coupled cluster theories: the role of cumulant decomposition of spin-free reduced density matrices.
Rahul Maitra, Debalina Sinha, Sangita Sen, Debashis Mukherjee
Theoretical Chemistry Accounts 133 (2014): 1-23
A study of the ionisation and excitation energies of core electrons using a unitary group adapted state universal approach
Sangita Sen, Avijit Shee, Debashis Mukherjee
Molecular Physics 111.16-17 (2013): 2625-2639
Exploration of Various Aspects of UGA-SUMRCC: Size Extensivity, Possible Use of Sufficiency Conditions, and an Extension for Direct Determination of Energy Differences
Avijit Shee, Sangita Sen, Debashis Mukherjee
Journal of Chemical Theory and Computation 9.6 (2013): 2573-2590
Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: Excited and ionized state energies
Sangita Sen, Avijit Shee, Debashis Mukherjee
The Journal of Chemical Physics 137.7 (2012)
Recent advances in spin-free state-specific and state-universal multi-reference coupled cluster formalisms: A unitary group adapted approach
Avijit Shee, Sangita Sen, Debashis Mukherjee
AIP Conference Proceedings. Vol. 1456. No. 1. American Institute of Physics, 2012