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
99 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
44 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
32 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
32 2014 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
25 2016 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
25 2015 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
24 2015 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
22 2020 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
21 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
18 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 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
14 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 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
12 2021 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 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
4 2023 Time-dependent optimized coupled-cluster method with doubles and perturbative triples for first principles simulation of multielectron dynamics H Pathak, T Sato, KL Ishikawa
Frontiers in Chemistry 10, 982120, 2022
2 2022 Time-dependent multiconfiguration self-consistent-field and time-dependent optimized coupled-cluster methods for intense laser-driven multielectron dynamics T Sato, H Pathak, Y Orimo, KL Ishikawa
Can. J. Chem. 10.1139/cjc-2022-0297, 2023
1 2023 Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states H Pathak, S Sasmal, K Talukdar, MK Nayak, N Vaval, S Pal
The Journal of Chemical Physics. 152 (10), 104302, 2020
1 2020