The stationary phase evaluation of mapping Hamiltonian propagator is presented. The development of semiclassical dynamic approach describing system of electron and nuclie is explored. All possible avenues for energy exchange between paticles is allowed. The semiclassical limit of dynamics corresponding to the mapping Hamiltonians formulation is derived. The adiabatic approach restricts the flow of energy between the electronic and nuclear degrees of freedom.

A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics / Bonella, Sara; D. F., Coker. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 114:18(2001), pp. 7778-7789. [10.1063/1.1366331]

A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics

BONELLA, SARA;
2001

Abstract

The stationary phase evaluation of mapping Hamiltonian propagator is presented. The development of semiclassical dynamic approach describing system of electron and nuclie is explored. All possible avenues for energy exchange between paticles is allowed. The semiclassical limit of dynamics corresponding to the mapping Hamiltonians formulation is derived. The adiabatic approach restricts the flow of energy between the electronic and nuclear degrees of freedom.
2001
01 Pubblicazione su rivista::01a Articolo in rivista
A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics / Bonella, Sara; D. F., Coker. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 114:18(2001), pp. 7778-7789. [10.1063/1.1366331]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/469154
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