| 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 | 141 | 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 | 104 | 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 | 79 | 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 | 66 | 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 | 64 | 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 | 58 | 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 |
| 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 |
| 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 | 31 | 2019 |
| 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 | 31 | 2014 |
| 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 |
| 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 | 28 | 2015 |
| 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 | 25 | 2019 |
| 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 | 24 | 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 | 22 | 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 | 20 | 2018 |
| Retracted Article: A highly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of α-hydrazino aldehyde and a theoretical … M Pandey, PS Chowdhury, AK Dutta, P Kumar, S Pal RSC Advances 3 (35), 15442-15448, 2013 | 19 | 2013 |
| Conformational modulation of Ant–Pro oligomers using chirality alteration of proline residues SS Kale, AS Kotmale, AK Dutta, S Pal, PR Rajamohanan, GJ Sanjayan Organic & Biomolecular Chemistry 10 (42), 8426-8433, 2012 | 19 | 2012 |
| Electron attachment to DNA and RNA nucleobases: An EOMCC investigation NVSP Achintya Kumar Dutta*, Turbasu Sengupta International Journal of Quantum Chemistry 115 (12), 753–764, 2015 | 18 | 2015 |
| Efficient EOM-CC-based protocol for the calculation of electron affinity of solvated nucleobases: Uracil as a case study M Mukherjee, D Tripathi, M Brehm, C Riplinger, AK Dutta Journal of Chemical Theory and Computation 17 (1), 105-116, 2020 | 17 | 2020 |
