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Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments.

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Title: Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments.
Authors: Fujikata, Yu1,2 fujikata@iis.u-tokyo.ac.jp, Muramatsu, Yasuji3, Mizoguchi, Teruyasu1 teru@iis.u-tokyo.ac.jp
Source: Journal of Chemical Physics. 6/7/2026, Vol. 164 Issue 21, p1-12. 12p.
Database: Academic Search Ultimate
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An: 194356568
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  Data: Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments.
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  Data: <searchLink fieldCode="AR" term="%22Fujikata%2C+Yu%22">Fujikata, Yu</searchLink><relatesTo>1,2</relatesTo><i> fujikata@iis.u-tokyo.ac.jp</i><br /><searchLink fieldCode="AR" term="%22Muramatsu%2C+Yasuji%22">Muramatsu, Yasuji</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Mizoguchi%2C+Teruyasu%22">Mizoguchi, Teruyasu</searchLink><relatesTo>1</relatesTo><i> teru@iis.u-tokyo.ac.jp</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Physics%22">Journal of Chemical Physics</searchLink>. 6/7/2026, Vol. 164 Issue 21, p1-12. 12p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=194356568
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      – Type: doi
        Value: 10.1063/5.0329032
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      – Code: eng
        Text: English
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        PageCount: 12
        StartPage: 1
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      – TitleFull: Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments.
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            NameFull: Fujikata, Yu
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            NameFull: Muramatsu, Yasuji
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            NameFull: Mizoguchi, Teruyasu
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            – D: 07
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              Text: 6/7/2026
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              Y: 2026
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              Value: 164
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              Value: 21
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