PRASENJIT SEAL

POST-DOCTORAL RESEARCHER-ANR


Phone number : +33 (0)3 83 68 41 24 (Office)
Email : prasenjit.seal@crm2.uhp-nancy.fr



Curiculum Vitae



Research Interests

Range-Separated Density Functional Theory, Nonlinear optics, Aromaticity, Magnetic Properties.



Publications

  • "Performance of range-separated hybrid schemes to model weak-interacting systems" by P. Seal, J. G. Ángyán et al., work in prgress (2010).
  • "Asymptotic behavior of RSH+RPA interaction energies" by P. Seal, R.-F.Liu, J. G. Ángyán et al., manuscript in preparation (2010).
  • "Resta index, a global measure of delocalization of electrons: Theory vs Experiment" by P. Seal and J. G. Ángyán, manuscript in preparation (2010).
  • “Rationalizing the Aromaticity Indexes Used to Describe the Aromatic Behavior of Metal Clusters” by P. Seal and S. Chakrabarti in the book entitiled “Aromaticity and Metal Clusters” edited by P. K. Chattaraj, Taylor and Francis (2010).
  • “A Comparative Study of the Nonlinear Optical Properties of CdnXn (X: S, Se and Te) Clusters” by S. Sen, P. Seal, and S. Chakrabarti, web publication on 27th July, J. Cluster Sci. (2010) .
  • “Carbondioxide rare-gas systems: Sensitivity of basis sets and double-hybrid density functionals” by P. Seal, J. Comp. Chem. 31 2001 (2010) .
  • “Ab initio investigation on the nonlinear optical properties of CdnTen (n=1-6) clusters” by P. Seal, S. Sen, and S. Chakrabarti, Chem. Phys. 367 152 (2010) .
  • “Role of pi-Conjugation in Influencing the Magnetic Interactions in Dinitrenes: A Broken-Symmetry Approach” by R. Ghosh, P. Seal, and S. Chakrabarti, J. Phys. Chem. A 114 93 (2010) .
  • “Nonlinear optical switching properties in Furylfulgide Aberchrome 540 (FFA) – Dihydrobenzofuran derivative (DHBF) pair of photochromic materials” by P. Seal and S. Chakrabarti, J. Phys. Chem. A 114 673 (2010) .
  • “Static First Order Nonlinear Optical Tensors of Alkali Metal Doped Linear (HCN)n Clusters: A Configuration Interaction Study” by P. Seal and S. Chakrabarti, accepted, Computing Lett. (CoLe) (2009).
  • “CH/pi Interaction in Benzene and Substituted Derivatives with Halomethane: A Combined Density Functional and Dispersion-Corrected Density Functional Study” by R. C. Dey, P. Seal, and S. Chakrabarti, J. Phys. Chem. A 113 10113 (2009) .
  • “Suitability of Double Hybrid Density Functionals and Their Dispersion-Corrected Counterparts in Producing the Potential Energy Curves for CO2 – Rg (Rg: He, Ne, Ar and Kr) Systems” by P. Seal and S. Chakrabarti, J. Phys. Chem. A 113 1377 (2009) .
  • “Is nucleus-independent chemical shift scan a reliable aromaticity index for planar and neutral A2B2 clusters?” by P. Seal, J. Mol. Struct.(THEOCHEM) 893 31 (2009) .
  • “Static and dynamic polarizabilities of (CdSe)n (n=1-16) clusters” by P. C. Jha, P. Seal, S. Sen, H. Ågren, and S. Chakrabarti, Comp. Mat. Sci. 44 728 (2008) .
  • “Magnetic interactions in dehydrogenated Guanine-Cytosine base pair” by P. Seal, P. C. Jha, H. Ågren, and S. Chakrabarti, Chem. Phys. Lett. 465 285 (2008) .
  • “Magnetic Interactions in Alkyl Substituted Cyclohexane Diradical Systems: A Broken Symmetry Approach” by P. Seal and S. Chakrabarti, J. Phys. Chem. A 112 3409 (2008)
  • “Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory” by P. C. Jha, Z. Rinkevicius, H. Ågren, P. Seal, and S. Chakrabarti, Phys. Chem. Chem. Phys. 10 2715 (2008) .
  • “Static first order hyperpolarizabilities of DNA base pairs: A configuration interaction study” by P. Seal, P. C. Jha, and S. Chakrabarti, J. Mol. Struct.(THEOCHEM) 855 64 (2008) .
  • “SixC1-xO2 alloys: a possible route to stabilize carbon-based silica-like solids?” by A. Aravindh, A. Arkundato, S. Barman, S. Baroni, B. L. Bhargava, K. R. S. Chandrakumar, W. Chen, R. Cherian, A. Dal Corso, S. Datta, S. de Gironcoli, S. S. Dhayal, A. K. Dixit, S. Dutta, P. D'yachkov, C. G. Floare, N. Ganguli, S. Ganguly, R. Gebauer, S. Ghosh, P. Giannozzi, Govind, A. J. Hatt, K. P. S. S Hembram, M. Imam, V. Jayalakshmi, C. S. Jayanthi, T. Kelkar, A. Kumar, J. H. Lee, M. –S. Lee, D. Lonappan, P. Mahadevan, S. S. Mallajosyula, M. Marathe, N. Marzari, B. Melot, N. Miller, J. Morrone, S. Nanavati, A. Nanayakkara, P. K. Nandi, S. Narasimhan*, B. Natarajan, F. Parvin, S. Paul, K. Pradhan, G. Praveena, D. L.V. K. Prasad, H. K. Poswal, B. Pujari, R. Pushpa, K. H. K. Reddy, S. K. Saha, C. Sbraccia, S. Scandolo, P. Seal, G. S. Shafai, K. V. Shanavas, J. O. H. Simrall, A. Srirangarajan, V. Srivastava, M. K. Talati, Y. Tantirungrotechai, K. Tarafder, T. Thomas, and T. Uthayathasan, Solid State Communications 144 273 (2007) . [Done in a DFT workshop organized by ICTP, Italy]
  • “Static and dynamic hyperpolarizability tensors of aluminum metal clusters, Al4M4 (M = Li, Na, and K)” by S. Sen, P. Seal, and S. Chakrabarti, Phys. Rev. B 76 115414 (2007) . * Virtual Journal of Nanoscale Science & Technology--- September 24, 2007 (Volume 14, Issue 24).
  • “Is Nucleus-Independent Chemical Shift Scan a Reliable Aromaticity Index for Planar Heteroatomic Ring Systems?” by P. Seal and S. Chakrabarti, J. Phys. Chem. A 111 9988 (2007) .
  • “Scalar relativistic effect on lattice dimerization in metastable gold nanowire of finite length” by P. Seal and S. Chakrabarti, Chem. Phys. 335 201 (2007) .
  • “Reply to “Comment ‘Origin of the Nonplanarity of Tetrafluoro Cyclobutadiene, C4F4’”” by P. Seal and S. Chakrabarti, J. Phys. Chem. A 111 5119 (2007) .
  • “Origin of the Nonplanarity of Tetrafluoro Cyclobutadiene, C4F4” by P. Seal and S. Chakrabarti, J. Phys. Chem. A 111 715 (2007) .
  • “Explicit role of dynamical and nondynamical electron correlation on singlet–triplet splitting in carbenes” by P. Seal and S.Chakrabarti, Chem. Phys. 332 232 (2007) .
  • “Explicit role of dynamical and nondynamical electron correlations on broken symmetry in C4N+2 clusters” by S. Sen, P. Seal, and S. Chakrabarti, Phys. Rev. B 73 245401 (2006) .



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