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 | 39 | 2019 |
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 | 35 | 2013 |
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 | 28 | 2018 |
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 | 28 | 2012 |
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 | 22 | 2015 |
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 | 18 | 2018 |
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 | 16 | 2018 |
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 | 16 | 2015 |
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 | 14 | 2021 |
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 | 14 | 2018 |
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 | 9 | 2014 |
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 | 6 | 2013 |
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 | 3 | 2012 |
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 | 2 | 2025 |
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 | 2 | 2021 |
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 | 1 | 2024 |
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 | 1 | 2023 |
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 | | |