A key quantity for calculating the electron transfer rate (and conductivity) is the transfer integral (tight binding hopping integral). Rosa mentioned this nice methodological paper from J. Chem. Phys. which shows how to extract this parameter from methods such as DFT.
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The triumphs of lattice gauge theory
When first proposed by Ken Wilson in 1974, lattice gauge theory was arguably a toy model , i.e., an oversimplification. He treated space-tim...
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Is it something to do with breakdown of the Born-Oppenheimer approximation? In molecular spectroscopy you occasionally hear this term thro... -
I welcome discussion on this point. I don't think it is as sensitive or as important a topic as the author order on papers. With rega...
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If you look on the arXiv and in Nature journals there is a continuing stream of people claiming to observe superconductivity in some new mat...
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