We investigate the intramolecular dynamics of the ground state and the first three singlet 1Σ+ excited states of boron hydride (BH) using the split-operator method. Ab initio calculations show that these states have strong nonadiabatic couplings, resulting in a complex topology of avoided crossing regions and double well potentials. We attempt to find a method to populate the second minimum of B1Σ+ enabling experimental observation of its vibrational states.

Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride

CIMIRAGLIA, Renzo;
1993

Abstract

We investigate the intramolecular dynamics of the ground state and the first three singlet 1Σ+ excited states of boron hydride (BH) using the split-operator method. Ab initio calculations show that these states have strong nonadiabatic couplings, resulting in a complex topology of avoided crossing regions and double well potentials. We attempt to find a method to populate the second minimum of B1Σ+ enabling experimental observation of its vibrational states.
1993
J., Broeckhove; B., Feyen; P. V., Leuven; Cimiraglia, Renzo; M., Persico
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1814902
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