CURRENT SCIENCE, VOL. 113, NO. 12, 25 DECEMBER 2017 2328 *For correspondence. (e-mail: [email protected]) excited states of closed-shell molecules using the constrainedvariational approach. J. Chem. Phys., 2009, 131, 024102. 11.… Click to show full abstract
CURRENT SCIENCE, VOL. 113, NO. 12, 25 DECEMBER 2017 2328 *For correspondence. (e-mail: [email protected]) excited states of closed-shell molecules using the constrainedvariational approach. J. Chem. Phys., 2009, 131, 024102. 11. Bag, A., Manohar, P. U. and Pal, S., Analytical dipole moments and dipole polarizabilities of oxygen mono-fluoride and nitrogen dioxide: a constrained variational response to Fock-Space multi-reference coupled-cluster method. Comput. Lett., 2007, 3, 351(2–4). 12. Manohar, P. U., Shamasundar, K. R., Bag, A., Vaval, N. and Pal, S., On some aspects of Fock-space multi-reference coupled-cluster singles and doubles energies and optical properties. In Challenges and Advances in Computational Chemistry and Physics, 2010, vol. 11, pp. 375–393. 13. Bag, A., Bhattacharya, S. and Pal, S., Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach. In Recent Advances in Spectroscopy: Theoretical, Astrophysical and Experimental Perspectives (ed. Chaudhury, R. K. et al.), 2010, p. 99–109. 14. Bag, A., Linear Response Approach in FSMRCC for Molecular Property, LAMBERT Academic Publishing, Deutschland, Germany, 2016. 15. GAMESS, General atomic and molecular electronic structure system. J. Comput. Chem., 1993, 14, 1347–1363. 16. Kolos, W. and Wolniewicz, L., Improved theoretical ground-state energy of the hydrogen molecule. J. Chem. Phys., 1968, 49, 404–410.
               
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