biblio

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2010
B. S. Kulkarni, Krishnamurty, S., and Pal, S., “Probing lewis acidity and reactivity of Sn- and Ti-beta zeolite using industrially important moieties: a periodic density functional study”, Journal of Molecular Catalysis A-Chemical, vol. 329, no. 1-2, pp. 36-43, 2010.
2013
A. Kumar Dutta, Vaval, N., and Pal, S., “Performance of the EOMIP-CCSD(2) method for determining the structure and properties of doublet radicals: a benchmark investigation”, Journal of Chemical Theory and Computation, vol. 9, no. 10, pp. 4313-4331, 2013.
A. Kumar Dutta, Pal, S., and Ghosh, D., “Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods”, Journal of Chemical Physics, vol. 139, no. 12, p. 124116, 2013.
I. Heidari, Vaval, N., Pal, S., and Kanhere, D. G., “Polarizability of few electron quantum dots: extended coupled-cluster response approach”, Chemical Physics Letters, vol. 555, pp. 263-267, 2013.
2014
A. Kumar Dutta, Gupta, J., Pathak, H., Vaval, N., and Pal, S., “Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities”, Journal of Chemical Theory and Computation, vol. 10, no. 5, pp. 1923-1933, 2014.
V. Sharma, Dixit, M., Satsangi, V. R., Dass, S., Pal, S., and Shrivastav, R., “Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films: first-principle DFT computations supporting the systematic experimental endeavor”, International Journal of Hydrogen Energy, vol. 39, no. 8, pp. 3637-3648, 2014.
2015
L. Ravichandran, Vaval, N., and Pal, S., “Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals”, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010), 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA, 2015, vol. 1642, pp. 223-226.
D. Bhattacharya, Dutta, A. Kumar, Gupta, J., and Pal, S., “Perturbative order analysis of the similarity transformed hamiltonian in fock-space coupled cluster theory: difference energy and electric response properties”, Molecular Physics, vol. 113, no. 13-14, pp. 2046-2060, 2015.