| Principle of maximum hardness: An accurate ab initio study S Pal, N Vaval, R Roy The Journal of Physical Chemistry 97 (17), 4404-4406, 1993 | 105 | 1993 |
| Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators N Vaval, LS Cederbaum The Journal of chemical physics 126 (16), 2007 | 73 | 2007 |
| Equation-of-motion coupled-cluster method for the study of shape resonance A Ghosh, N Vaval, S Pal The Journal of Chemical Physics 136 (23), 2012 | 68 | 2012 |
| Fock space multireference coupled cluster theory: noniterative inclusion of triples for excitation energies N Vaval, S Pal, D Mukherjee Theoretical Chemistry Accounts 99, 100-105, 1998 | 65 | 1998 |
| Nonlinear molecular properties using biorthogonal response approach N Vaval, KB Ghose, S Pal The Journal of chemical physics 101 (6), 4914-4919, 1994 | 52 | 1994 |
| Coupled cluster methods for autoionisation resonances Y Sajeev, A Ghosh, N Vaval, S Pal International Reviews in Physical Chemistry 33 (3), 397-425, 2014 | 48 | 2014 |
| Stationary coupled-cluster approaches to molecular properties: A comparative study N Vaval, S Pal Physical Review A 54 (1), 250, 1996 | 44 | 1996 |
| Performance of the EOMIP-CCSD (2) method for determining the structure and properties of doublet radicals: a benchmark investigation AK Dutta, N Vaval, S Pal Journal of Chemical Theory and Computation 9 (10), 4313-4331, 2013 | 43 | 2013 |
| 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 | 42 | 2016 |
| First-and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach A Bag, PU Manohar, N Vaval, S Pal The Journal of chemical physics 131 (2), 2009 | 42 | 2009 |
| Multireference coupled cluster based analytic response approach for evaluating molecular properties: Some pilot results D Ajitha, N Vaval, S Pal The Journal of chemical physics 110 (5), 2316-2322, 1999 | 42 | 1999 |
| Fock-space multireference coupled-cluster theory. fourth-order corrections to the ionization potential N Vaval, KB Ghose, S Pal, D Mukherjee Chemical physics letters 209 (3), 292-298, 1993 | 38 | 1993 |
| CAP/EOM-CCSD method for the study of potential curves of resonant states A Ghosh, A Karne, S Pal, N Vaval Physical Chemistry Chemical Physics 15 (41), 17915-17921, 2013 | 37 | 2013 |
| Intermediate Hamiltonian Fock space multireference coupled cluster approach to core excitation spectra AK Dutta, J Gupta, N Vaval, S Pal Journal of Chemical Theory and Computation 10 (9), 3656-3668, 2014 | 32 | 2014 |
| 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 |
| Partitioned EOMEA-MBPT(2): An Efficient N5 Scaling Method for Calculation of Electron Affinities AK Dutta, J Gupta, H Pathak, N Vaval, S Pal Journal of Chemical Theory and Computation 10 (5), 1923-1933, 2014 | 31 | 2014 |
| Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: an efficient and novel approach D Bhattacharya, N Vaval, S Pal The Journal of Chemical Physics 138 (9), 2013 | 30 | 2013 |
| EOMIP-CCSD (2)*: An efficient method for the calculation of ionization potentials AK Dutta, N Vaval, S Pal Journal of Chemical Theory and Computation 11 (6), 2461-2472, 2015 | 28 | 2015 |
| Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances Y Sajeev, MK Mishra, N Vaval, S Pal The Journal of chemical physics 120 (1), 67-72, 2004 | 28 | 2004 |
| Study of interatomic Coulombic decay of Ne (H2O) n (n= 1, 3) clusters using equation-of-motion coupled-cluster method A Ghosh, S Pal, N Vaval The Journal of Chemical Physics 139 (6), 2013 | 27 | 2013 |
