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Ab Initio Modeling of the Photoluminescence of SrCl2:Eu2+─Direct Comparison between Density Functional and Wave Function Theory-Based Approaches.

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Title: Ab Initio Modeling of the Photoluminescence of SrCl2:Eu2+─Direct Comparison between Density Functional and Wave Function Theory-Based Approaches.
Authors: Toader AM; Institute of Physical Chemistry, Splaiul Independenţei 202, Bucharest 060041, Romania., Buta MC; Institute of Physical Chemistry, Splaiul Independenţei 202, Bucharest 060041, Romania., Humelnicu I; Faculty of Chemistry, 'Alexandru Ioan Cuza' University of Iaşi, 11 Carol I Bd, Iaşi 700506, Romania., Urland W; Private Institute of Theoretical Chemical Physics,, Via Dr. A. Sciaroni 2, Muralto CH-6600, Switzerland., Suta M; Inorganic Photoactive Materials, Institute of Inorganic Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, Düsseldorf 40225, Germany., Sergentu DC; Faculty of Chemistry, 'Alexandru Ioan Cuza' University of Iaşi, 11 Carol I Bd, Iaşi 700506, Romania.; RA-03 RECENT AIR Laboratory, 'Alexandru Ioan Cuza' University of Iaşi, 11 Carol I Bd, Iaşi 700506, Romania., Cimpoesu F; Institute of Physical Chemistry, Splaiul Independenţei 202, Bucharest 060041, Romania.
Source: Inorganic chemistry [Inorg Chem] 2025 Mar 31; Vol. 64 (12), pp. 5996-6009. Date of Electronic Publication: 2025 Mar 20.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1520-510X
DOI:10.1021/acs.inorgchem.4c05073