Toward a QFT-based theory of atomic and molecular properties

Gustavo A. Aucar
  • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry
  • DOI: 10.1039/c3cp52685b

Toward a QFT-based formalism of atomica and molecular properties

What is it about?

In this article we show how far away one can go when the well-known QED-based formalism for free (uncorrelated) particles (high-energy physics) is applied to learn on molecular properties (low-energy physics). We found a reliable way to extend such a QED language to molecular processes. So, QED corrections and then QFT like chirality, can be introduced. We also show a nice related pattern among spin tensor operators and time-reversal symmetry. The origin of diamagnetism is then explained.

Why is it important?

From the very begining of QED in the early forties there was a paramount difficulty that was almost impossible to overcome: to treat on equal footing QED and electron correlation effects. Here we show how to do it though within a natural extension of the most usual formalism of QED. The application of our formalism shows perhaps more deeply the physics that is on the basement of molecular properties. The time reversal symmetry is also shown as a generalization of the electronic spin-symmetry

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http://dx.doi.org/10.1039/c3cp52685b

The following have contributed to this page: Gustavo Adolfo Aucar

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