Non-adiabatic transitions through tilted avoided crossings
Provides a theoretical framework for understanding non-adiabatic dynamics in molecular systems with tilted crossings, relevant for quantum chemistry and molecular physics.
The authors derived an explicit formula for non-adiabatic transition probabilities through tilted avoided crossings, achieving excellent agreement with high-precision ab-initio calculations.
We investigate the transition of a quantum wave-packet through a one-dimensional avoided crossing of molecular energy levels when the energy levels at the crossing point are tilted. Using superadiabatic representations, and an approximation of the dynamics near the crossing region, we obtain an explicit formula for the transition wavefunction. Our results agree extremely well with high precision ab-initio calculations.