Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics T Sato, H Pathak, Y Orimo, KL Ishikawa The Journal of chemical physics 148 (5), 2018 | 105 | 2018 |
Relativistic coupled-cluster study of RaF as a candidate for the parity-and time-reversal-violating interaction S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal Physical Review A 93 (6), 062506, 2016 | 46 | 2016 |
Time-dependent optimized coupled-cluster method for multielectron dynamics II. A coupled electron-pair approximation H Pathak, T Sato, KL Ishikawa The Journal of Chemical Physics. 152 (12), 124115, 2020 | 36 | 2020 |
Relativistic equation-of-motion coupled-cluster method: Application to closed-shell atomic systems H Pathak, BK Sahoo, BP Das, N Vaval, S Pal Physical Review A 89 (4), 042510, 2014 | 34 | 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 |
Implementation of the -vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal Physical Review A 91 (3), 030503, 2015 | 28 | 2015 |
Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal The Journal of Chemical Physics 144 (12), 2016 | 26 | 2016 |
Time-dependent optimized coupled-cluster method for multielectron dynamics III: A second-order many-body perturbation approximation H Pathak, T Sato, KL Ishikawa Journal of Chemical Physics 153 (3), 034110, 2020 | 25 | 2020 |
Calculation of P, T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal The Journal of Chemical Physics 143 (8), 2015 | 25 | 2015 |
Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential H Pathak, S Sasmal, MK Nayak, N Vaval, S Pal The Journal of chemical physics 145 (7), 074110, 2016 | 23 | 2016 |
Relativistic equation-of-motion coupled-cluster method for the electron attachment problem H Pathak, S Sasmal, MK Nayak, N Vaval, S Pal Computational and Theoretical Chemistry 1076, 94-100, 2016 | 21 | 2016 |
Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules H Pathak, S Sasmal, MK Nayak, N Vaval, S Pal Physical Review A 90 (6), 062501, 2014 | 18 | 2014 |
Time-dependent optimized coupled-cluster method for multielectron dynamics IV: Approximate consideration of the triple excitation amplitudes H Pathak, T Sato, KL Ishikawa Journal of Chemical Physics 154 (23), 0054743, 2021 | 16 | 2021 |
Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms H Pathak, A Ghosh, BK Sahoo, BP Das, N Vaval, S Pal Physical Review A 90 (1), 010501, 2014 | 16 | 2014 |
Relativistic extended-coupled-cluster method for the magnetic hyperfine structure constant S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal Physical Review A 91 (2), 022512, 2015 | 15 | 2015 |
Study of laser-driven multielectron dynamics of Ne atom using time-dependent optimised second-order many-body perturbation theory H Pathak, T Sato, KL Ishikawa Molecular Physics 118 (21-22), e1813910, 2020 | 13 | 2020 |
TAMM: Tensor algebra for many-body methods E Mutlu, A Panyala, N Gawande, A Bagusetty, J Glabe, J Kim, K Kowalski, ... The Journal of Chemical Physics 159 (2), 2023 | 10 | 2023 |
Real-time equation-of-motion CC cumulant and CC Green’s function simulations of photoemission spectra of water and water dimer FD Vila, JJ Rehr, H Pathak, B Peng, A Panyala, E Mutlu, NP Bauman, ... The Journal of Chemical Physics 157 (4), 2022 | 8 | 2022 |
Real-time equation-of-motion coupled-cluster cumulant green’s function method: Heterogeneous parallel implementation based on the tensor algebra for many-body methods … H Pathak, A Panyala, B Peng, NP Bauman, E Mutlu, JJ Rehr, FD Vila, ... Journal of Chemical Theory and Computation 19 (8), 2248-2257, 2023 | 7 | 2023 |
A relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems H Pathak, BK Sahoo, T Sengupta, BP Das, N Vaval, S Pal Journal of Physics B: Atomic, Molecular and Optical Physics 48 (11), 115009, 2015 | 6 | 2015 |