" /> Landau–Zener model - CISMeF





Preferred Label : Landau–Zener model;

IUPAC definition : Within the Born–Oppenheimer approximation, a semi-classical model for the probability, P, of hopping from one electronic state to another of the same or different i multiplicity /i \[P \exp (- \frac{4\ \pi {2}\ \varepsilon_{12} {2}}{h\ \nu\ s_{1}-s_{2} })\] where ɛ12 is the potential energy gap between the two electronic states at a surface crossing point, s1- s2 is the difference in slopes between the intersecting potential energy curves at this point and ν is the nuclear relative velocity with which the system passes the point of closest approach.;

Scope note : the original formalism only considered states of the same spin multiplicity.;

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Within the Born–Oppenheimer approximation, a semi-classical model for the probability, P, of hopping from one electronic state to another of the same or different i multiplicity /i \[P \exp (- \frac{4\ \pi {2}\ \varepsilon_{12} {2}}{h\ \nu\ s_{1}-s_{2} })\] where ɛ12 is the potential energy gap between the two electronic states at a surface crossing point, s1- s2 is the difference in slopes between the intersecting potential energy curves at this point and ν is the nuclear relative velocity with which the system passes the point of closest approach.

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29/07/2025


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