Publications & Extras
1. Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach
A. Bag, S. Bhattacharya, S. Pal in Recent Advances in Spectroscopy Theoretical, Astrophysical and Experimental Perspectives edited by R. K. Chaudhuri, M. V. Mekkaden, A. V. Raveendran, A. Satya Narayanan, Springer-Verlag, Berlin, 2009, p. 99. ISBN 978-3-642-10321-6
2. Fock space multi-reference coupled cluster theory: Study of shape resonance
Sumantra Bhattacharya, Nayana Vaval, Sourav Pal, Int. J. Quantum Chem. 113, 1690-1695 (2013).
3. Charge-Transfer Complex Formation in Gelation: The Role of Solvent Molecules with Different Electron Donating Capacity
Shibaji Basak, Sumantra Bhattacharya, Ayan Datta, Arindam Banerjee, Chem. Eur. J. 20, 5721-5726 (2014).
4. Color Polymorphism: Understanding the Diverse Solid State Packing and Color in Dimethyl 3, 6 Dichloro 2, 5 dihydroxyterephthalate
Saied Md. Pratik, A. Nijamudheen, Sumantra Bhattacharya, Ayan Datta, Chem. Eur. J. 20, 3218-3224 (2014).
5. Excited state geometry optimization: Fock-Space Multi Reference Coupled Cluster method
Achintya Kumar Dutta, Sumantra Bhattacharya* Mol. Phys. 112, 2884-2891 (2014).
6. A chromogenic and fluorogenic bis-Schiff base sensor for rapid detection of hydrazine both in solution and vapour phase
Goutam Kumar Patra, Anupam Ghorai, Jahangir Mondal, Sumantra Bhattacharya, Anal. Methods,7, 10385-10393 (2015).
7. A highly sensitive reversible fluorescentcolorimetric azino bis-Schiff base sensor for rapid detection of Pb 2+ in aqueous media
Anupam Ghorai, Jahangir Mondal, Rajat Saha, Sumantra Bhattacharya, Goutam K. Patra Anal Methods, 8, 2032-2040 (2016).
8. Study of shape resonance of ozone and sulfur dioxide using CAP-CIP-FSMRCC method
Sumantra Bhattacharya, Nayana Vaval, Sourav Pal (manuscript under preparation)
9. Geometry optimization of doublet state: using analytic gradient method within Fock space multi-reference coupled cluster method
Sumantra Bhattacharya, Achintya Kumar Dutta, Nayana Vaval, Sourav Pal (manuscript under preparation)
10. Computational Study Reveals That: Blending Dissimilar Dyes on NiO Surfaces Enhance Performance of p-type DSSC Devices
Saied Md. Pratik, Sumantra Bhattacharya* (Communicated)