biblio

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2025
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Relativistic extended-coupled-cluster calculations of P , T -odd sensitivity parameters for diatomic molecules”, Journal of Chemical Theory and Computation, vol. 21, no. 11, pp. 5481-5489, 2025.
2020
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides”, Journal of Chemical Physics, vol. 153, no. 18, p. 184306, 2020.
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Relativistic coupled-cluster study of BaF in search of CP violation”, Journal of Physics B-Atomic Molecular and Optical Physics, vol. 53, no. 13, p. 135102, 2020.
H. Pathak, Sasmal, S., Talukdar, K., Nayak, M. K., Veval, N., and Pal, S., “Relativistic double-ionization equation-of-motion coupled-cluster method: application to low-lying doubly ionized states”, Journal of Chemical Physics, vol. 152, no. 10, p. 104302, 2020.
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Role of electron correlation in the P, T-odd effects of CdH: a relativistic coupled-cluster investigation”, Physical Review A, vol. 101, no. 3, p. 032505, 2020.
2019
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Nuclear parity- and time-reversal-symmetry violation in the (HgH)-Hg-201 molecule”, Physical Review A, vol. 99, no. 3, p. 032503, 2019.
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF”, Journal of Chemical Physics, vol. 150, no. 8, 2019.
2018
K. Talukdar, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., “Correlation trends in the magnetic hyperfine structure of atoms: a relativistic coupled-cluster case study”, Physical Review A, vol. 98, no. 2, 2018.
2016
S. Sasmal, Talukdar, K., Nayak, M. K., Vaval, N., and Pal, S., “Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework”, Journal of Chemical Sciences, vol. 128, no. 10, pp. 1671-1675, 2016.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction”, Physical Review A, vol. 93, no. 6, p. 062506, 2016.
H. Pathak, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method for the electron attachment problem”, Computational and Theoretical Chemistry, vol. 1076, pp. 94-100, 2016.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Search for parity and time reversal violating effects in HgH: relativistic coupled-cluster study”, Journal of Chemical Physics, vol. 144, no. 12, p. Article No. 124307, 2016.
2015
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework”, Journal of Chemical Physics, vol. 143, no. 8, p. 084119, 2015.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule”, Physical Review A, vol. 91, no. 3, p. 030503, 2015.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic extended coupled cluster method for magnetic hyperfine structure constant”, Physical Review A, vol. 91, no. 2, p. Article No. 022512, 2015.
2014
H. Pathak, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules”, Physical Review A, vol. 90, no. 6, p. Article No. 062501, 2014.