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- W2548771640 abstract "The electronic predissociation from several excited electronic states of LiHF is studied using a time dependent Golden rule treatment, in an adiabatic representation. The potential energy surfaces used are those developed recently (J. Chem. Phys. 119 (2003) 10088) to simulate the experimental spectrum. The non- adiabatic couplings are calculated using highly correlated electronic functions and a finite difference method. It is found that the electronic predissociation process towards the ground electronic state yields to the formation of LiF products, with a large probability, > 90%. Also, the lifetimes associated to the A states are much shorter than for the B state. It is inferred that the electronic predissociation from the B and B' electronic states should take place through the A electronic state, which acts as a doorway. Such process is explained by important Σ − Π vibronic couplings appearing between the A, B and B's." @default.
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- W2548771640 date "2006-01-01" @default.
- W2548771640 modified "2023-09-27" @default.
- W2548771640 title "UNDERSTANDING CHEMICAL REACTIONS INVOLVING NON-ADIABATIC TRANSITIONS: PREDISSOCIATION OF THE ELECTRONICALLY EXCITED" @default.
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