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 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
25 2016 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 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), 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
20 2016 Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules HP Sudip Sasmal, Malaya K. Nayak, Nayana Vaval, Sourav Pal
Physical Review A 90, 062501, 2014
18 2014 Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: Application within the framework of the MCTDH method S Sasmal, O Vendrell
The Journal of Chemical Physics 153 (15), 2020
17 2020 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 Correlation trends in the magnetic hyperfine structure of atoms: A relativistic coupled-cluster case study K Talukdar, S Sasmal, MK Nayak, N Vaval, S Pal
Physical Review A 98 (2), 022507, 2018
10 2018 Calculation of the magnetic hyperfine structure constant of alkali metals and alkaline-earth-metal ions using the relativistic coupled-cluster method S Sasmal
Physical Review A 96 (1), 012510, 2017
9 2017 Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework S Sasmal, K Talukdar, MK Nayak, N Vaval, S Pal
Molecular Physics 115 (21-22), 2807-2812, 2017
7 2017 Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method S Sasmal, O Vendrell
The Journal of Chemical Physics 157 (13), 2022
5 2022 A bosonic perspective on the classical mapping of fermionic quantum dynamics J Sun, S Sasmal, O Vendrell
The Journal of Chemical Physics 155 (13), 2021
5 2021 Exploration of interlacing and avoided crossings in a manifold of potential energy curves by a unitary group adapted state specific multi-reference perturbation theory (UGA-SSMRPT) D Chakravarti, K Hazra, R Kayal, S Sasmal, D Mukherjee
The Journal of Chemical Physics 155 (1), 2021
4 2021 Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework S Sasmal, K Talukdar, MK Nayak, N NAYANA VAVAL, S Pal
Journal of Chemical Sciences 128, 1671-1675, 2016
4 2016 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), 2020
2 2020 Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition S Sasmal, M Schröder, O Vendrell
The Journal of Chemical Physics 160 (6), 2024
1 2024 Inverse optically-induced ring currents in ring-shaped molecules KR Nandipati, S Sasmal, O Vendrell
The Journal of Physical Chemistry Letters 15 (19), 5034-5040, 2024
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