Molecular dynamics involving electronic transport has been an important aspect of chemical sciences. Pioneering work was done by Hans Kuhn in Germany in the early 1970’s. In 1974, Ari Aviram and I published the first quantitative paper concerning molecular electronics. Since then, the field has expanded enormously, but the time-dependent motion is rarely studied, despite the fact that the time-dependent results can provide deeper insights into our knowledge, and possibly to applications. This talk will be devoted to outlining the methodology of using time dependent methods. Following that, I will present a few diagrams, equations, and remarks concerning interference and molecular electronics. Some insights into the electronic behavior will be demonstrated.

Moving electrons: Quantum transport, time dependence, phonons, interference and probes

255th National Meeting (2018)

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