A.  Ghosh, Pal, S., and Vaval, N., ?Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method?, Molecular Physics, vol. 112, no. 5-6, pp. 669-673, 2013.

A. Kumar Dutta, Gupta, J., Vaval, N., and Pal, S., ?Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra?, Journal of Chemical Theory and Computation, vol. 10, no. 9, pp. 3656-3668, 2014.

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.

A.  Ghosh, Pal, S., and Vaval, N., ?Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation?, Molecular Physics, vol. 119, no. 9, p. e1884300, 2021.

G.  Devasia, Kumar, R., Vaval, N., and Krishnamurty, S., ?Insights into adsorption of various gases on extra-framework cations of zeolite: a dispersion corrected DFT study on zeolite cluster models with Li plus , Na plus and K plus ions?, Microporous and Mesoporous Materials, vol. 361, p. 112739, 2023.