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|a 10.1002/jcc.70067
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|a eng
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|a Pramod Majety, Vinay
|e verfasserin
|4 aut
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|a Single- and Three-Photon Ionization of
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|c 2025
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|a Text
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|a ƒaComputermedien
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|a Date Revised 14.03.2025
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a © 2025 The Author(s). Journal of Computational Chemistry published by Wiley Periodicals LLC.
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|a We report single- and three-photon ionization cross-sections of the N 2 $$ {N}_2 $$ molecule in the region of the Hopfield series of doubly excited states. Results are obtained by solving the time-dependent Schrödinger equation in a hybrid basis combining neutral and ionic CI states with a fully numerical basis. Contributions to the spectrum during and after the interaction are obtained using the tSurff and iSurf methods. Calculations at arbitrary molecular orientation and details of the spectral calculation are presented. For single-photon ionization synchrotron data is reproduced. For three-photon ionization we find a pronounced change of resonance line shape when going from single- to three-photon transitions
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|a Journal Article
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|a computational methods
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|a nitrogen molecule
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|a photoabsorption
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|a time‐dependent Schrodinger equation
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|a Scrinzi, Armin
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 46(2025), 7 vom: 15. März, Seite e70067
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnas
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| 773 |
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|g volume:46
|g year:2025
|g number:7
|g day:15
|g month:03
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|u http://dx.doi.org/10.1002/jcc.70067
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