Összesen 2 találat.


001-es BibID:BIBFORM090934
035-os BibID:(cikkazonosító)184005
Első szerző:Csehi András (fizikus)
Cím:On the preservation of coherence in the electronic wavepacket of a neutral and rigid polyatomic molecule / András Csehi, Péter Badankó, Gábor J Halász, Ágnes Vibók, Benjamin Lasorne
Megjegyzések:We present various types of reduced models including five vibrational modes and three electronic states for the pyrazine molecule in order to investigate the lifetime of electronic coherence in a rigid and neutral system. Using ultrafast optical pumping in the ground state (1 1 A g ), we prepare a coherent superposition of two bright excited states, 1 1 B 2u and 1 1 B 1u , and reveal the effect of the nuclear motion on the preservation of the electronic coherence induced by the laser pulse. More specifically, two aspects are considered: the anharmonicity of the potential energy surfaces and the dependence of the transition dipole moments (TDMs) with respect to the nuclear coordinates. To this end, we define an ♭ideal model' by making three approximations: (i) only the five totally symmetric modes move, (ii) which correspond to uncoupled harmonic oscillators, and (iii) the TDMs from the ground electronic state to the two bright states are constant (Franck?Condon approximation). We then lift the second and third approximations by considering, first, the effect of anharmonicity, second, the effect of coordinate-dependence of the TDMs (first-order Herzberg?Teller contribution), third, both. Our detailed numerical study with quantum dynamics is meant to be realistic for pyrazine over about 20 femtoseconds, and was further extended so as to probe the effect of such approximations on a model system. We show that long-term revivals of the electronic
Tárgyszavak:Természettudományok Fizikai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
electronic wavepacket
polyatomic molecule
quantum nuclear dynamics
Megjelenés:Journal Of Physics B-Atomic Molecular And Optical Physics. - 53 : 18 (2020), p. 1-12. -
További szerzők:Badankó Péter (1989-) (fizikus) Halász Gábor J. (1961-) (fizikus) Vibók Ágnes (1962-) (fizikus) Lasorne, Benjamin
Pályázati támogatás:EFOP-3.6.2-16-2017-00005
NKFIH K128396
Internet cím:Szerző által megadott URL
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001-es BibID:BIBFORM078715
Első szerző:Halász Gábor J. (fizikus)
Cím:Geometric phase of light-induced conical intersections : adiabatic time-dependent approach / Gábor J. Halász, Péter Badankó, Ágnes Vibók
Megjegyzések:Conical intersections are degeneracies between electronic states and are very common in nature. It has been found that they can also be created both by standing or by running laser waves. The latter are called light-induced conical intersections. It is well known that conical intersections are the sources for numerous topological effects which are manifested, e.g. in the appearance of the geometric or Berry phase. In one of our former works by incorporating the diabatic-to-adiabatic transformation angle with the line-integral technique, we have calculated the Berry-phase of the light-induced conical intersections. Here, we demonstrate that by using the time-dependent adiabatic approach suggested by Berry the geometric phase of the light-induced conical intersections can also be obtained and the results are very similar to those of the time-independent calculations.
Tárgyszavak:Természettudományok Fizikai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
Born-Oppenheimer approximation
Conical intersections
Light-induced conical intersections
Geometric phase
Megjelenés:Molecular Physics. - 116 : 19-20 (2018), p. 2652-2659. -
További szerzők:Badankó Péter (1989-) (fizikus) Vibók Ágnes (1962-) (fizikus)
Pályázati támogatás:EFOP-3.6.2-16-2017-00005
Internet cím:Szerző által megadott URL
Intézményi repozitóriumban (DEA) tárolt változat
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