Analytical Treatment of Benzene Transmittivity
Kenneth W. Sulston, Sydney G. Davison
TL;DR
This paper extends previous work on benzene transmittivity by deriving explicit formulas for transmission probabilities, analyzing their resonance behaviors, and providing detailed insights into molecular transmission characteristics.
Contribution
It introduces explicit formulas for benzene transmission probabilities and analyzes their resonance and anti-resonance features, advancing theoretical understanding.
Findings
Explicit formulas for transmission probability functions
Identification of resonance and anti-resonance features
Enhanced understanding of benzene molecular transmittivity
Abstract
The renormalization method has been previously used in conjunction with the Lippman-Schwinger equation to calculate transmission probabilities for benzene molecules, within the tight-binding approximation. Those results are extended here by presenting explicit formulas for the transmission probability functions, which are subsequently analysed for their anti-resonances, resonances and other maxima and minima.
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Taxonomy
TopicsPhotochemistry and Electron Transfer Studies · Molecular Junctions and Nanostructures · Spectroscopy and Quantum Chemical Studies