many body perturbation theory (mbpt)

Why is MBPT Important in Catalysis?

Catalysis involves complex chemical reactions where the role of the catalyst is to lower the activation energy, thereby increasing the reaction rate. Understanding the electronic structure and the interactions between electrons in the catalyst material is essential for predicting its behavior and effectiveness. MBPT provides a rigorous way to investigate these electronic interactions, offering insights into the reaction mechanism and helping to identify key factors that influence catalytic activity.

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