Prashant Uday Manohar

2 Questions 11 Answers 0 Followers

Questions related from Prashant Uday Manohar

How do I choose the best exchange correlation functional for running a DFT calculation?

Any recommendations on options for exchange correlation functionals ground and excited state DFT computations for single point as well as optimization jobs.

07 July 2014 286 19 View

What exactly needs to be done for the said project?

Describe the objectives and briefly tell little bit about the project such as processes, chemical reactions, or computational study etc you would like to work on or collaborate for, in order to...

01 January 1970 1,905 0 View