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RESEARCH PRODUCT

Basic Concepts and Methodology

Matthieu Sala

subject

PhysicsTheoretical physicsVibronic couplingMolecular electronic structureSeven Basic Tools of QualityConical intersectionPotential energy

description

In this chapter, the main concepts relevant for the theoretical study of elementary photochemical processes are briefly reviewed. The notions of vibronic coupling and conical intersection are first introduced. The main basic tools from the molecular electronic structure theory and their use for the exploration of potential energy surfaces are then presented.

https://doi.org/10.1007/978-3-319-28979-3_2