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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