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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
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  Data: Ab Initio Modeling of the Photoluminescence of SrCl<subscript>2</subscript>:Eu<superscript>2+</superscript>─Direct Comparison between Density Functional and Wave Function Theory-Based Approaches.
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  Data: <searchLink fieldCode="AU" term="%22Toader+AM%22">Toader AM</searchLink>; Institute of Physical Chemistry, Splaiul Independenţei 202, Bucharest 060041, Romania.<br /><searchLink fieldCode="AU" term="%22Buta+MC%22">Buta MC</searchLink>; Institute of Physical Chemistry, Splaiul Independenţei 202, Bucharest 060041, Romania.<br /><searchLink fieldCode="AU" term="%22Humelnicu+I%22">Humelnicu I</searchLink>; Faculty of Chemistry, 'Alexandru Ioan Cuza' University of Iaşi, 11 Carol I Bd, Iaşi 700506, Romania.<br /><searchLink fieldCode="AU" term="%22Urland+W%22">Urland W</searchLink>; Private Institute of Theoretical Chemical Physics,, Via Dr. A. Sciaroni 2, Muralto CH-6600, Switzerland.<br /><searchLink fieldCode="AU" term="%22Suta+M%22">Suta M</searchLink>; Inorganic Photoactive Materials, Institute of Inorganic Chemistry, Heinrich Heine University Düsseldorf, Universitätsstraße 1, Düsseldorf 40225, Germany.<br /><searchLink fieldCode="AU" term="%22Sergentu+DC%22">Sergentu DC</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Cimpoesu+F%22">Cimpoesu F</searchLink>; Institute of Physical Chemistry, Splaiul Independenţei 202, Bucharest 060041, Romania.
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  Data: <searchLink fieldCode="JN" term="%220366543%22">Inorganic chemistry</searchLink> [Inorg Chem] 2025 Mar 31; Vol. 64 (12), pp. 5996-6009. <i>Date of Electronic Publication: </i>2025 Mar 20.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0366543 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1520-510X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200201669%22">00201669 </searchLink><i>NLM ISO Abbreviation: </i>Inorg Chem <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1021/acs.inorgchem.4c05073
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      – Code: eng
        Text: English
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      – TitleFull: Ab Initio Modeling of the Photoluminescence of SrCl2:Eu2+─Direct Comparison between Density Functional and Wave Function Theory-Based Approaches.
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              Text: 2025 Mar 31
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