Arup Chakraborty

Arup Chakraborty
Bar Ilan University | BIU · Department of Chemistry

Ph.D.

About

24
Publications
10,276
Reads
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395
Citations
Additional affiliations
February 2010 - January 2017
Indian Association for the Cultivation of Science
Position
  • Researcher

Questions

Question (1)
Question
I wish to calculate charge density using different functional and want to compare those with the more accurate functional/method (beyond DFT method such as HSE, GW, RPA etc.) for a benchmark study. Can anyone help me to choose the best functional/method (within VASP) that can give the more accurate result for the charge density?
Thanks in advance.
With regards,
Arup Chakraborty