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001-es BibID:	BIBFORM085268
Első szerző:	Perveaux, Aurelie
Cím:	Attosecond electronic and nuclear quantum photodynamics of ozone: Time-dependent Dyson orbitals and dipole / A Perveaux; D Lauvergnat; B Lasorne; F Gatti; M A Robb; Halász Gábor; Vibók Ágnes
Dátum:	2014
ISSN:	0953-4075
Megjegyzések:	A nonadiabatic scheme for the description of the coupled electron and nuclear motions in theozone molecule was proposed recently (Hal ?aszet al2013Phys. Rev.A88023425). An initialcoherent nonstationary state was prepared as a superposition of the ground state and theexcited Hartley band. In this situation neither the electrons nor the nuclei are in a stationarystate. The multiconfiguration time-dependent Hartree method was used to solve the couplednuclear quantum dynamics in the framework of the adiabatic separation of the time-dependentSchr ?odinger equation. The resulting wave packet shows an oscillation of the electron densitybetween the two chemical bonds. As a first step for probing the electronic motion we computedthe time-dependent molecular dipole and the Dyson orbitals. The latter play an important rolein the explanation of the photoelectron angular distribution. Calculations of the Dyson orbitalsare presented both for the time-independent as well as the time-dependent situations. Welimited our description of the electronic motion to the Franck?Condon region only due to thelocalization of the nuclear wave packets around this point during the first 5?6 fs.
Tárgyszavak:	Természettudományok Fizikai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk coherent nonstationary state exciton migration oscillation of electron density Dyson orbitals
Megjelenés:	Journal Of Physics B-Atomic Molecular And Optical Physics. - 47 : 12 (2014), p. 1-16. -
További szerzők:	Lauvergnat, David Lasorne, Benjamin Gatti, Fabien Robb, M. A. Halász Gábor J. (1961-) (fizikus) Vibók Ágnes (1962-) (fizikus)
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