biblio

Export 5 results:
Filters: Author is Shedge, Sapana V.  [Clear All Filters]
Journal Article
S. V. Shedge, Pal, S., and Koester, A. M., “Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability”, Chemical Physics Letters, vol. 510, no. 4-6, pp. 185-190, 2011.
S. V. Shedge, Pal, S., and Koester, A. M., “Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P-4 and adamantane”, Chemical Physics Letters, vol. 552, pp. 146-150, 2012.
K. B. Sophy, Shedge, S. V., and Pal, S., “Noniterative density functional response approach: application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives”, Journal of Physical Chemistry A, vol. 112, no. 44, pp. 11266-11272, 2008.
S. V. Shedge, Carmona-Espindola, J., Pal, S., and Koster, A. M., “Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed kohn-sham method: case study of the polarizabilities of disubstituted azoarene molecules”, Journal of Physical Chemistry A, vol. 114, no. 6, pp. 2357-2364, 2010.
S. V. Shedge, Joshi, S. P., and Pal, S., “Behaviour of density functional theory for electric response properties at distorted geometries of molecules”, Theoretical Chemistry Accounts, vol. 131, no. 2, p. 1094, 2012.