Born-Oppenheimer approximation
Theory of molecular spectra
Article REF: P2656 V1
Born-Oppenheimer approximation
Theory of molecular spectra

Author : Alain PETIT

Publication date: March 10, 2002, Review date: January 5, 2017 | Lire en français

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2. Born-Oppenheimer approximation

The Schrödinger equation for a molecule involves wave functions that depend on the nuclear and electro-nuclear coordinates. The first simplification therefore consists in separating the nuclear part and the electronic part into two distinct parts:

Ψ = Ψ e (r i , R N ) χ N (R N )

with :

R N and r i
 : 
respectively core and electron coordinates i.
...
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