Effects of time evolution of coherently excited vibrations in molecular core—hole decay spectra of O2

Neeb, M.; Rubensson, Jan‐Erik; Biermann, Mark L.; Eberhardt, W.; Randall, Kevin J.; Feldhaus, J.; Kilcoyne, A. L. D.; Bradshaw, A. M.; Xu, Z.; Johnson, P. D.; Ma, Yong

doi:10.1016/0009-2614(93)87131-l

Cited by 40 publications

(17 citation statements)

References 17 publications

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“…also the transition operators » K and ¼ K DI are independent of the nuclear coordinates, this formula, which was heuristically derived by Neeb et al [3,4] is shown to be exact.…”

Section: Wave Packets and Intensitymentioning

confidence: 87%

“…The theory will be applied to two models representing the deexcitation of core-excited N ((1 S )\(1 E )> P (3 E )\ transition) and of core-excited O ((1 S )\ (1 E )> P (1 E )\ transition). The corresponding experiments can be found in [3,4].…”

Section: Applicationsmentioning

confidence: 99%

“…Here, Morse functions have been used as potential curves which have been fitted to the data given in [4]. The parameters used in the calculations are listed in Table 1.…”

Section: Applicationsmentioning

confidence: 99%

“…In these cases the excitation process cannot be regarded as an instantaneous process, which can be separated from the subsequent decay. The experiments of Neeb et al [3,4] represent examples for these cases. Autoionization following the selective excitation of vibrational sublevels of the intermediate electronic state (''deexcitation electron spectroscopy''; DES) has been investigated in this group.…”

mentioning

confidence: 97%

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Competition between excitation and electronic decay of short-lived molecular states

Pahl¹,

Meyer²,

Cederbaum³

1996

Z Phys D - Atoms, Molecules and Clusters

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The nuclear dynamics accompanying the excitation to and the subsequent decay of an electronic state is discussed. Particular attention is paid to cases, in which the whole process cannot be divided into two steps (excitation and decay) since the excitation and the decay times are of the same order of magnitude. The recently introduced time-dependent formulation of the theory describing the wave packets' dynamics is extended to include the excitation process. The wave packets can be related to the intensity of the emitted particles. Most of the resulting integrals can actually be performed by employing eigenstates of the Hamiltonians corresponding to the involved potential energy surfaces. This leads to the so called ''timeindependent'' formulation of the theory. Computational details of the implementation of the corresponding ''timedependent'' and ''time-independent'' methods are presented. Illustrative applications are given to illuminate both the influence of the excitation process and the lifetime of the decaying state. It emerges that the intuitive interpretation of the spectra (within the above two step model) may fail. Insight into the process is gained by studying the evolution of the spectra as a function of time. The appearance of ''atomic lines'' due to dissociative decaying and final states is investigated in some detail.PACS: 33.80.!b; 32.80.Hd; 42.55.Vc I IntroductionThe spectroscopic methods which involve the appearance of an excited decaying electronic state can roughly be divided into absorption or emission spectroscopies. In the first class the excitation process, i.e. the transition between the initial and the intermediate, decaying state is observed. Examples are conventional optical absorption spectroscopies and electron energy loss spectroscopy (EELS). In the emission spectroscopies the decay of the excited electronic state is studied. Under these spectroscopies come methods like X-ray emission spectroscopy (XES), Auger electron spectroscopy (AES) or the autoionization of coreexcited states.This classification is useful if the effects of nuclear dynamics on the detected spectra are considered. In absorption spectroscopies the nuclear dynamics leads in combination with the finite lifetime of the excited state only to a broadening of the observed bands. In emission spectroscopies, however, additional effects due to interference phenomena may occur. Apart from band broadening the bands can be energetically shifted and asymmetric band forms may be introduced [1, 2]. These effects are the strongest if the lifetime of the decaying state is in the range of the typical times of internal vibrations in this state.If the excitation time is of the same order-of-magnitude as both the lifetime of the decaying state and the typical time of internal vibrations, further effects in the spectra may appear. Then, the observed spectra are also influenced by the duration and other details of the excitation. In these cases the excitation process cannot be regarded as an instantaneous process, which can be separated...

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“…also the transition operators » K and ¼ K DI are independent of the nuclear coordinates, this formula, which was heuristically derived by Neeb et al [3,4] is shown to be exact.…”

Section: Wave Packets and Intensitymentioning

confidence: 87%

Section: Applicationsmentioning

confidence: 99%

“…Here, Morse functions have been used as potential curves which have been fitted to the data given in [4]. The parameters used in the calculations are listed in Table 1.…”

Section: Applicationsmentioning

confidence: 99%

mentioning

confidence: 97%

See 2 more Smart Citations

Competition between excitation and electronic decay of short-lived molecular states

Pahl¹,

Meyer²,

Cederbaum³

1996

Z Phys D - Atoms, Molecules and Clusters

View full text Add to dashboard Cite

show abstract

“…Understanding the effects of interference is essential to applying this technique for high resolution spectroscopy, and several groups are already studying interference effects in resonant x-ray Raman spectra (40)(41)(42)(43)(44)). In addition, early studies of the polarization and angular distribution of resonantly scattered x-rays proved very successful in probing the symmetries of molecular orbitals (45,46), and point to many interesting future developments.…”

Section: Resonant Raman Scatteringmentioning

confidence: 99%

Extending synchrotron-based atomic physics experiments into the hard x-ray region

LeBrun¹

1997

The 17th International Conference on X-Ray and Inner-Shell Processes

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Abstract. The high-brightness, hard x-ray beams available from third-generation synchrotron sources are opening new opportunities to study the deepest inner shells of atoms, an area where Iittle work has been done and phenomena not observed in less tightly bound inner-shells are manifested. In addition scattering processes which are weak at lower energies become important, providing another tool to investigate atomic structure as well as an opportunity to study photodatom interactions beyond photoabsorption. In this contribution we discuss some of the issues related to extending synchrotron-based atomic physics experiments into the hard x-ray region from the physical and the experimental point of view. We close with a discussion of a technique, resonant Raman scattering, that may prove invaluable in determining the spectra of the very highly-excited states resulting from the excitation of deep inner shells.

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Spectroscopy and Dynamics of the Electronic Decay of Core Electron Excitations in Isolated and Chemisorbed Molecules

Eberhardt¹

1995

Springer Series in Surface Sciences

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Effects of time evolution of coherently excited vibrations in molecular core—hole decay spectra of O2

Cited by 40 publications

References 17 publications

Competition between excitation and electronic decay of short-lived molecular states

Competition between excitation and electronic decay of short-lived molecular states

Extending synchrotron-based atomic physics experiments into the hard x-ray region

Spectroscopy and Dynamics of the Electronic Decay of Core Electron Excitations in Isolated and Chemisorbed Molecules

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