Tunneling electronic currents simulated with localized basis sets
Sign Up to like & getrecommendations! Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2018.05.021
Abstract: Abstract The description of tunneling currents from non-equilibrium electronic structure using localized basis sets is very demanding. The problem stems from the lack of accuracy to describe evanescent waves in the tunneling barrier when the… read more here.
Keywords: basis; electronic currents; currents simulated; tunneling electronic ... See more keywords
Electronic Currents Induced by Optical Fields and Rotatory Power Density in Chiral Molecules
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DOI: 10.3390/molecules26144195
Abstract: The electric dipole–magnetic dipole polarizability tensor κ′, introduced to interpret the optical activity of chiral molecules, has been expressed in terms of a series of density functions kαβ′, which can be integrated all over the… read more here.
Keywords: induced optical; chiral molecules; electronic currents; density ... See more keywords