Fictitious time wave packet dynamics: II. Hydrogen atom in external fields - Physics > Atomic PhysicsReportar como inadecuado




Fictitious time wave packet dynamics: II. Hydrogen atom in external fields - Physics > Atomic Physics - Descarga este documento en PDF. Documentación en PDF para descargar gratis. Disponible también para leer online.

Abstract: In the preceding paper T. Fabcic et al., preprint -restricted Gaussian wavepackets- were introduced for the regularized Coulomb problem in thefour-dimensional Kustaanheimo-Stiefel coordinates, and their exact timepropagation was derived analytically in a fictitious time variable. We nowestablish the Gaussian wave packet method for the hydrogen atom in staticexternal fields. A superposition of restricted Gaussian wave packets is used asa trial function in the application of the time-dependent variationalprinciple. The external fields introduce couplings between the basis states.The set of coupled wave packets is propagated numerically, and eigenvalues ofthe Schrodinger equation are obtained by the frequency analysis of the timeautocorrelation function. The advantage of the wave packet propagation in thefictitious time variable is that the computations are exact for the field-freehydrogen atom and approximations from the time-dependent variational principleonly stem from the external fields. Examples are presented for the hydrogenatom in a magnetic field and in crossed electric and magnetic fields.



Autor: T. Fabčič, J. Main, G. Wunner

Fuente: https://arxiv.org/







Documentos relacionados