I'm interested in analysing the electronic properties of old materials , can any one help me to calculate the reorganization energy.
Just refer this journal
Start, M.S. 1997, J.Phys.Chem. A. 101,8296-8301
or for simple understanding, look into the attached journal.
Best.
Thank u so much vikram aditya. I will go through the manual and come back to u if I have any queries.
check the following papers in which we have calculated the reorganization energies and also therein refs
Theor Chem Acc (2011) 129:131–139
J Mol Model (2011) 17:3039–3046
Thank you sir for your reference paper
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