| Towards a pair natural orbital coupled cluster method for excited states AK Dutta, F Neese, R Izsák The Journal of Chemical Physics 145 (3), 2016 | 148 | 2016 |
| Exploring the accuracy of a low scaling similarity transformed equation of motion method for vertical excitation energies AK Dutta, M Nooijen, F Neese, R Izsák Journal of chemical theory and computation 14 (1), 72-91, 2018 | 115 | 2018 |
| Speeding up equation of motion coupled cluster theory with the chain of spheres approximation AK Dutta, F Neese, R Izsák The Journal of chemical physics 144 (3), 2016 | 86 | 2016 |
| Automatic active space selection for the similarity transformed equations of motion coupled cluster method AK Dutta, M Nooijen, F Neese, R Izsák The Journal of Chemical Physics 146 (7), 2017 | 75 | 2017 |
| A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states AK Dutta, M Saitow, B Demoulin, F Neese, R Izsák The Journal of Chemical Physics 150 (16), 2019 | 71 | 2019 |
| A near-linear scaling equation of motion coupled cluster method for ionized states AK Dutta, M Saitow, C Riplinger, F Neese, R Izsák The Journal of Chemical Physics 148 (24), 2018 | 65 | 2018 |
| Performance of the EOMIP-CCSD (2) method for determining the structure and properties of doublet radicals: a benchmark investigation AK Dutta, N Vaval, S Pal Journal of Chemical Theory and Computation 9 (10), 4313-4331, 2013 | 43 | 2013 |
| Intermediate Hamiltonian Fock space multireference coupled cluster approach to core excitation spectra AK Dutta, J Gupta, N Vaval, S Pal Journal of Chemical Theory and Computation 10 (9), 3656-3668, 2014 | 38 | 2014 |
| Ruthenium-Chelated Non-Innocent Bis (heterocyclo) methanides: A Mimicked β-Diketiminate S Panda, SK Bera, P Goel, AK Dutta, GK Lahiri Inorganic Chemistry 58 (17), 11458-11469, 2019 | 35 | 2019 |
| Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods AK Dutta, S Pal, D Ghosh The Journal of Chemical Physics 139 (12), 2013 | 34 | 2013 |
| Partitioned EOMEA-MBPT(2): An Efficient N5 Scaling Method for Calculation of Electron Affinities AK Dutta, J Gupta, H Pathak, N Vaval, S Pal Journal of Chemical Theory and Computation 10 (5), 1923-1933, 2014 | 31 | 2014 |
| Multilayer approach to the IP-EOM-DLPNO-CCSD method: Theory, implementation, and application S Haldar, C Riplinger, B Demoulin, F Neese, R Izsak, AK Dutta Journal of Chemical Theory and Computation 15 (4), 2265-2277, 2019 | 29 | 2019 |
| EOMIP-CCSD (2)*: an efficient method for the calculation of ionization potentials AK Dutta, N Vaval, S Pal Journal of Chemical Theory and Computation 11 (6), 2461-2472, 2015 | 29 | 2015 |
| Electron attachment to DNA base pairs: an interplay of dipole-and valence-bound states D Tripathi, AK Dutta The Journal of Physical Chemistry A 123 (46), 10131-10138, 2019 | 27 | 2019 |
| Lower scaling approximation to EOM‐CCSD: A critical assessment of the ionization problem AK Dutta, N Vaval, S Pal International Journal of Quantum Chemistry 118 (14), e25594, 2018 | 25 | 2018 |
| Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation AK Dutta, F Neese, R Izsák Molecular Physics 116 (11), 1428-1434, 2018 | 24 | 2018 |
| Water mediated electron attachment to nucleobases: Surface-bound vs bulk solvated electrons M Mukherjee, D Tripathi, AK Dutta The Journal of Chemical Physics 153 (4), 2020 | 22 | 2020 |
| Secondary electron attachment-induced radiation damage to genetic materials J Narayanan SJ, D Tripathi, P Verma, A Adhikary, AK Dutta ACS omega 8 (12), 10669-10689, 2023 | 21 | 2023 |
| A core–valence separated similarity transformed EOM-CCSD method for core-excitation spectra S Ranga, AK Dutta Journal of Chemical Theory and Computation 17 (12), 7428-7446, 2021 | 21 | 2021 |
| Doorway mechanism for electron attachment induced DNA strand breaks J Narayanan SJ, D Tripathi, AK Dutta The Journal of Physical Chemistry Letters 12 (42), 10380-10387, 2021 | 20 | 2021 |