Nonperturbative computation of the time-resolved formation of the profile of autoionizing states as a function of the intensity and duration of ultrashort pulses

Mercouris, Theodoros; Komninos, Yannis; Nicolaides, Cleanthes A.

doi:10.1103/physreva.83.015403

Phys. Rev. A

2011

DOI: 10.1103/physreva.83.015403

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Nonperturbative computation of the time-resolved formation of the profile of autoionizing states as a function of the intensity and duration of ultrashort pulses

Theodoros Mercouris

Yannis Komninos

Cleanthes A. Nicolaides

Abstract: By solving the time-dependent Schrödinger equation nonperturbatively by the state-specific expansion approach, we have obtained reliable results showing the dependence of the formation of the excitation profile of the autoionizing state He 2s2p 1 P o for Gaussian pulses of intensities in the range I ≈ 10 10 W/cm 2 to I ≈ 10 15 W/cm 2 , and of duration 100-2 fs. Conclusions are drawn as regards the breakdown of first-order time-dependent perturbation theory.

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Cited by 4 publications

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State‐ and property‐specific quantum chemistry: Basic characteristics, and sample applications to atomic, molecular, and metallic ground and excited states of beryllium

Nicolaides

2011

Int J of Quantum Chemistry

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Many problems in Atomic and Molecular Physics can be understood conceptually and quantitatively by using symmetry-adapted, state-specific wavefunctions whose computation is geared so as to account for at least those parts which describe reliably the characteristics of closed-and open-(sub)shell electronic structures that contribute overwhelmingly to the property or phenomenon of interest. If additional terms in the wavefunction are required by the problem, this is feasible via methods of configuration-interaction or low-order perturbation theory. This is the main argument of the state-and property-specific approach (SPSA) to Quantum Chemistry. In this framework, the aim is to obtain the state wavefunction, C n , in the form a 0 C 0 n þ F corr n , where a 0 % 1. C 0 n is a state-specific zero-order description of ground and excited states of the discrete as well as of the continuous spectrum. In general, it is multiconfigurational and its construction follows from the ''Fermi-sea'' set of orbitals. The C 0 n is used as reference for analysis and/or for further improvement of the overall calculation, if necessary. The level of accuracy of the computation of the remaining F corr n depends on the property under investigation. The arguments are supported by characteristic examples on ground and excited states of atomic, molecular and metallic Beryllium. Some of these SPSA results are compared with results from more conventional methods of electronic structure. Special attention is given to the weak bond of the Be 2 X 1 R þ g state, which has attracted the interest of quantum chemists for decades. By asserting that the formation of the bond at about 2.5 Ǻ is influenced by the interactions involving excited states, I point to the corresponding significance in zeroorder (''Fermi-sea'') not only of p-waves but also of d-waves whose origin is in the valence-Rydberg state mixing of the lowest 1 D and 1 P o states of Be. Therefore, the

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State‐ and property‐specific quantum chemistry: Basic characteristics, and sample applications to atomic, molecular, and metallic ground and excited states of beryllium

Nicolaides

2011

Int J of Quantum Chemistry

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Interference effects on intense XUV pulse induced resonant transitions between core ionized states of helium

Chatterjee¹

2021

J. Phys. B: At. Mol. Opt. Phys.

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In the context of core-resonant ionization of helium atom the inclusion of the He-He + (2p) ionization channel sets off a quantum mechanical interference between two competing pathways, He-He + (1s)-He + (2p) and He-He + (2p) (He-He + (1s) and He-He + (2p)-He + (1s)), thereby significantly modifying the line shape of the photoelectron spectrum. The signature of this interference arises as an asymmetry in the line shape of the multi-peak photoelectron spectra. On account of the discrepancies over the magnitude of the two photon photoionization cross section for the He-He + (2p) ionization channel the calculations have been performed for three different magnitudes of this photoionization cross section and the findings confirm that asymmetry in the line shape is prevalent for all the chosen cross sections. However, the magnitude of asymmetry depends on the magnitude of the photoionization cross section for the He-He + (2p) ionization channel. It is also interesting to note that at the considered laser peak intensities in this work an additional ionization channel from excited ionic state of helium plays a significant role in influencing the line shape of the photoelectron spectrum. The effects of pulse duration on the line shape of the photoelectron spectrum and the possibility to control the interference induced asymmetry in the multi peak line shape has also been investigated.

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Probing autoionizing decay in He atom with ultrashort laser pulses

Granados¹,

Sanz-Vicario²

2012

J. Phys.: Conf. Ser.

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Nonperturbative computation of the time-resolved formation of the profile of autoionizing states as a function of the intensity and duration of ultrashort pulses

Cited by 4 publications

References 10 publications

State‐ and property‐specific quantum chemistry: Basic characteristics, and sample applications to atomic, molecular, and metallic ground and excited states of beryllium

State‐ and property‐specific quantum chemistry: Basic characteristics, and sample applications to atomic, molecular, and metallic ground and excited states of beryllium

Interference effects on intense XUV pulse induced resonant transitions between core ionized states of helium

Probing autoionizing decay in He atom with ultrashort laser pulses

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