Autoionization

Temkin, A.; Bhatia, A. K.

doi:10.1007/978-0-387-26308-3_25

Cited by 3 publications

(1 citation statement)

References 37 publications

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“…In the recent years, electron correlation and the processes driven by it, i.e. autoionization [25], population of satellite states on photo-ionization [26], energy transfer [27,28], and charge migration [22,29]; have been the subject of intensive research both by theory and experiment. The correlation effects can be used to answer the following important questions: How long does it take the electronic cloud to respond to such perturbation?…”

Section: Chaptermentioning

confidence: 99%

Impact of Structural Modifications on Ultrafast Correlation-Driven Charge Migration in Organic Molecules: For Molecular Engineering

Chordiya

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Section: Chaptermentioning

confidence: 99%

Impact of Structural Modifications on Ultrafast Correlation-Driven Charge Migration in Organic Molecules: For Molecular Engineering

Chordiya

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Construction of resonance projection operators: Application to two-electron targets

Temkin

Bhatia

1985

Phys. Rev. A

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Theory and computation of triply excited resonances: Application to states ofHe−

1993

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Autoionizing multiply excited states offer unusual challenges to the theory of electronic structure and spectra because of the presence of strong electron correlations, of their occasional weak binding, of their proximity to more than one threshold, and of their degeneracy with many continua. Here we discuss a theory that addresses these difFiculties in conjunction with the computation of their wave functions and intrinsic properties. Emphasis is given on the justification of the possible presence of self-consistently obtained open-channel-like (OCL) correlating configurations in the square-integrable representation of such states and on their effect on the energy E and the width I . Application of the theory has allowed the prediction of two hitherto unknown He triply excited resonances, the 2s2p P (E=59.71 eV, above the He ground state, I =79 meV) and the 2p D' (E=59.46 eV, I =282 meV) (1 a.u. =27.2116 eV).These resonances are above the singly excited states of He and are embedded in its doubly excited spectrum. The relatively broad 2p D' state interacts strongly with the He 2s2p P' ed continuum. The effect of this interaction has been studied in terms of the coupling with fixed core scattering states as well as with a self-consistently computed OCL bound configuration. The position of the He 2p' D' resonance is below that of the He 2p 'D autoionizing state at 59.91 eV and of the He 2p P bound state at 59.68 eV. The partial decay widths to the three important open channels are y(2s2p P')=252 meV, y(1s2p 'P')=21 meV, y(1s2p 'P')=9 meV. The final core states are also represented by correlated (multiconfigurational Hartree-Fock) functions. The 2s2p P state couples to four neighboring He thresholds, the 2s2p P', 2p P, 'D, and 2s2p 'P'. It is above the He 2s2p P' threshold at 58.31 eV, with respect to which it is a valence shape resonance, and below the He 2p 'D and 2s2p 'P' autoionizing states. In the limit of an exact energy calculation, we suggest that its position would also come below that of the 2p P state, which it overlaps. Its partial widths are y(2s2p P') =60 meV, y(1s2p P') =9 meV, y(1s2p 'P') =10 meV. The present results, considered together with published ones on other n=2 intrashell states, show that the recently measured [R. N. Gosselin and P. Marmet, Phys. Rev. A 41, 1335] closely lying structures at 58.415 and 58.48 eV cannot correspond to the He 2p S' and D' states, as these authors proposed.PACS number(s): 31.50.+w, 31.20.Tz, 32.80.Dz, 34.80.Dp

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Autoionization

Cited by 3 publications

References 37 publications

Impact of Structural Modifications on Ultrafast Correlation-Driven Charge Migration in Organic Molecules: For Molecular Engineering

Impact of Structural Modifications on Ultrafast Correlation-Driven Charge Migration in Organic Molecules: For Molecular Engineering

Construction of resonance projection operators: Application to two-electron targets

Theory and computation of triply excited resonances: Application to states ofHe−

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