Second order reduction factors for T(et)‎ Jahn-Teller systems

الملخص EN

Second-order reduction Factors (SORF) are important as they can generate contributions to the effective Hamiltonian which may be significantly larger than and different from those of first order.

The aim of this proposal is to calculate analytical values for the second-order reduction factors by using a new general method which is developed by Nottingham group in 2003.

non-Condon corrections to the standard Franck-Condon (FC) calculations for T (et) Jahn-Teller (JT) Systems.

The validity of this non- Condon correction approximation is first tested in the cubic Tt JT system.

It found that the non-Condon corrections are a valid improvement on the standard FC results and provide an accurate estimate of the SORF for Tt JT systems.

This proposal gives the results of calculations of the second-order JT reduction factors for T ⊗ (e ⊕ t) JT systems.