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X-Ray Absorption Spectrum of the N-2(+) Molecular Ion
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- Lindblad, R. (author)
- Uppsala universitet,Uppsala University,Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Helmholtz Association of German Research Centers,Oorganisk kemi,Lund Univ, Dept Phys, Box 118, SE-22100 Lund, Sweden.;Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.
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- Kjellsson, L. (author)
- Uppsala universitet,Uppsala University,European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany.,Molekyl- och kondenserade materiens fysik
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- Carvalho Couto, Rafael (author)
- Uppsala universitet,Uppsala University,KTH Royal Institute of Technology,KTH,Teoretisk kemi och biologi,Uppsala Univ, Angstrom Lab, Dept Chem, Theoret Chem, SE-75121 Uppsala, Sweden.,Teoretisk kemi,Royal Inst Technol, Sch Chem Biotechnol & Hlth, Theoret Chem & Biol, SE-10691 Stockholm, Sweden.
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- (creator_code:org_t)
- American Physical Society, 2020
- 2020
- English.
- In: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 124:20
- Journal article (peer-reviewed)
Abstract
Subject headings
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- The x-ray absorption spectrum of N-2(+) in the K-edge region has been measured by irradiation of ions stored in a cryogenic radio frequency ion trap with synchrotron radiation. We interpret the experimental results with the help of restricted active space multiconfiguration theory. Spectroscopic constants of the l sigma(-1 2)(u)Sigma(+)(u) state, and the two 1 sigma(-1)(u) 3 sigma(-1)(g) 1 pi(y) (II alpha)-I-2 states are determined from the measurements. The charge of the ground state together with spin coupling involving several open shells give rise to double excitations and configuration mixing, and a complete breakdown of the orbital picture for higher lying core-excited states.
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)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
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