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Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.
Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus.
Affiliation
  • Pinjari RV; Department of Chemistry - Ångström Laboratory, Uppsala University, SE-751 20 Uppsala, Sweden.
  • Delcey MG; Department of Chemistry - Ångström Laboratory, Uppsala University, SE-751 20 Uppsala, Sweden.
  • Guo M; Department of Chemistry - Ångström Laboratory, Uppsala University, SE-751 20 Uppsala, Sweden.
  • Odelius M; Department of Physics, Stockholm University, AlbaNova University Center, SE-106 91 Stockholm, Sweden.
  • Lundberg M; Department of Chemistry - Ångström Laboratory, Uppsala University, SE-751 20 Uppsala, Sweden.
J Chem Phys ; 141(12): 124116, 2014 Sep 28.
Article in En | MEDLINE | ID: mdl-25273421
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2014 Type: Article Affiliation country: Sweden
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2014 Type: Article Affiliation country: Sweden