Vikramaditya Talapunur

3 Questions 9 Answers 0 Followers

Questions related from Vikramaditya Talapunur

Exciton length - TD-DFT, Transition density matrix ?

It is possible to plot the Contour plots of transition density matricesfrom the ground state to the excited states performing TD-DFT calculation. However obtaining the data and plotting the graph...

12 December 2015 5,704 0 View

How to perform Huang-Rhys analysis employing G09?

I am interested in measuring the geometric relaxation of the excited state with respect to ground state, so I want to calculate the total relaxation energy with respect to a vertical...

11 November 2014 2,474 2 View

Is it possible to calculate reverse intersystem crossing using gaussian 09 software ?

I am interested in calculating a transition from excited triplet to excited singlet, oscillator strength corresponding to that, can anyone help me in this regard ? if it is not possible using...

10 October 2013 1,766 2 View