Sapana V. Shedge

Vibronic and Environmental Effects in Simulations of Optical Spectroscopy

Tim J. Zuehlsdorff, Sapana V. Shedge, Shao-Yu Lu et al. · Annual Review of Physical Chemistry · 2021 · 71 citations · Full text

Nonlinear Spectroscopy, Engineering, Computational Chemistry +17

How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations?

Marie Humbert‐Droz, Xiuwen Zhou, Sapana V. Shedge et al. · Theoretical Chemistry Accounts · 2013 · 53 citations

Numerical Analysis, Engineering, Frozen Density +8

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

Sapana V. Shedge, Javier Carmona‐Espíndola, Sourav Pal et al. · The Journal of Physical Chemistry A · 2010 · 24 citations

Noniterative Density Functional Response Approach: Application to Nonlinear Optical Properties of <i>p</i>-Nitroaniline and Its Methyl-Substituted Derivatives

K. B. Sophy, Sapana V. Shedge, Sourav Pal · The Journal of Physical Chemistry A · 2008 · 21 citations

Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy

Sapana V. Shedge, Tim J. Zuehlsdorff, Ajay Khanna et al. · The Journal of Chemical Physics · 2021 · 18 citations · Full text