Publications
K. R. Nandipati, S. Sasmal and O. Vendrell, Inverse optically-induced ring currents in ring-shaped molecules, J. Phys. Chem. Lett. 15, 5034-5040 (2024). [pdf]
S. Sasmal, M. Schröder, and O. Vendrell, Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition, J. Chem. Phys. 160, 064109 (2024). [pdf]
S. Sasmal and O. Vendrell, Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method, J. Chem. Phys. 157, 134102 (2022). [pdf]
J. Sun, S. Sasmal and O Vendrell, A bosonic perspective on the classical mapping of fermionic quantum dynamics, J. Chem. Phys. 155, 134110 (2021). [pdf]
D. Chakravarti, K. Hazra, R. Kayal, S. Sasmal and D. Mukherjee, 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), J. Chem. Phys. 155, 014101 (2021). [pdf]
S. Sasmal and O. Vendrell, Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: application within the framework of the MCTDH method, J. Chem. Phys. 153, 154110 (2020). [pdf]
H. Pathak, S. Sasmal, K. Talukdar, M. K. Nayak, N. Vaval and S. Pal, Relativistic double-ionization equation- of-motion coupled-cluster method: Application to low-lying doubly ionized states, J. Chem. Phys. 152, 104302 (2020). [pdf]
K. Talukdar, S. Sasmal, M. K. Nayak, N. Vaval and S. Pal, Correlation trends in the magnetic hyperfine structure of atoms: A relativistic coupled-cluster case study, Phys. Rev. A 98, 022507 (2018). [pdf]
S. Sasmal, Calculation of the magnetic hyperfine structure constant of alkali metals and alkaline-earth-metal ions using the relativistic coupled-cluster method, Phys. Rev. A 96, 012510 (2017). [pdf]
S. Sasmal, K. Talukdar, M. K. Nayak, N. Vaval and S. Pal, Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework, Mol. Phys. 115, 2807 (2017). [pdf]
S. Sasmal, K. Talukdar, M. K. Nayak, N. Vaval and S. Pal, Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework, J. Chem. Sci. 128, 1671 (2016). [pdf]
H. Pathak, S. Sasmal, M. K. Nayak, N. Vaval and S. Pal, Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential, J. Chem. Phys. 145, 074110 (2016). [pdf]
S. Sasmal, H. Pathak, M. K. Nayak, N. Vaval and S. Pal, Relativistic coupled-cluster study of RaF as a candidate for parity and time reversal violating interaction, Phys. Rev. A 93, 062506 (2016). [pdf]
S. Sasmal, H. Pathak, M. K. Nayak, N. Vaval and S. Pal, Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study, J. Chem. Phys. 144, 124307 (2016). [pdf]
H. Pathak, S. Sasmal, M. K. Nayak, N. Vaval and S. Pal, Relativistic equation-of-motion coupled-cluster method for the electron attachment problem, Computational and Theoretical Chemistry 1076, 94 (2016). [pdf]
S. Sasmal, H. Pathak, M. K. Nayak, N. Vaval and S. Pal, Calculation of P,T- odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework, J. Chem. Phys. 143, 084119 (2015). [pdf]
S. Sasmal, H. Pathak, M. K. Nayak, N. Vaval and S. Pal, Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule, Phys. Rev. A 91, 030503(R) (2015). [pdf]
S. Sasmal, H. Pathak, M. K. Nayak, N. Vaval and S. Pal, Relativistic extended-coupled-cluster method for the magnetic hyperfine structure constant, Phys. Rev. A 91, 022512 (2015). [pdf]
H. Pathak, S. Sasmal, M. K. Nayak, N. Vaval and S. Pal, Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules, Phys. Rev. A 90, 062501 (2014). [pdf]