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Vibrationally resol...
Vibrationally resolved nitrogen K-shell photoelectron spectra of the dinitrogen oxide molecule : Experiment and theory
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Ehara, Masahiro (author)
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Tamaki, Ryota (author)
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Nakatsuji, Hiroshi (author)
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Lucchese, Robert (author)
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- Söderström, Johan (author)
- Uppsala universitet,Fysiska institutionen,Molekyl- och kondenserade materiens fysik
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Tanaka, Takahiro (author)
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Hoshino, Masaki (author)
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Kitajima, Masashi (author)
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Tanaka, Hiroshi (author)
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De Fanis, Alberto (author)
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Ueda, Kiyoshi (author)
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(creator_code:org_t)
- Elsevier BV, 2007
- 2007
- English.
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In: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 438:1-3, s. 14-19
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http://www.sciencedi...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- Vibrationally resolved Nc and Nt K-shell photoelectron spectra of the dinitrogen oxide have been studied experimentally and theoretically. Vibrational frequencies for the Nc and Nt 1s ionized states obtained from the 2D potential surfaces computed by the CCSD(T) method within the equivalent core approximation reasonably agree with the experimental values. Experimental relative intensities of the vibrational structure are reasonably reproduced by the multi-channel Schwinger configuration interaction method (MCSCI) with the computed 2D potential surfaces. Improved relaxed geometries of these core–hole states are obtained from fitting the experimental spectra using the MCSCI calculations and regarding the bond lengths as fitting parameters.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
Keyword
- Physics
- Fysik
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Ehara, Masahiro
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Tamaki, Ryota
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Nakatsuji, Hiros ...
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Lucchese, Robert
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Söderström, Joha ...
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Tanaka, Takahiro
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show more...
-
Hoshino, Masaki
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Kitajima, Masash ...
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Tanaka, Hiroshi
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De Fanis, Albert ...
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Ueda, Kiyoshi
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Atom and Molecul ...
- Articles in the publication
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Chemical Physics ...
- By the university
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Uppsala University