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Implementation of analytical excited state gradients for open-shell systems in time-dependent density functional theory plus tight binding (TDDFT+TB) method.

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Title: Implementation of analytical excited state gradients for open-shell systems in time-dependent density functional theory plus tight binding (TDDFT+TB) method.
Authors: Samarasinghe, D. Sulalith N. D.1, Havenridge, Shana1, Aikens, Christine M.1 cmaikens@ksu.edu
Source: Journal of Chemical Physics. 6/7/2026, Vol. 164 Issue 21, p1-11. 11p.
Database: Academic Search Ultimate
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DbLabel: Academic Search Ultimate
An: 194356573
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Implementation of analytical excited state gradients for open-shell systems in time-dependent density functional theory plus tight binding (TDDFT+TB) method.
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  Data: <searchLink fieldCode="AR" term="%22Samarasinghe%2C+D%2E+Sulalith+N%2E+D%2E%22">Samarasinghe, D. Sulalith N. D.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Havenridge%2C+Shana%22">Havenridge, Shana</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Aikens%2C+Christine+M%2E%22">Aikens, Christine M.</searchLink><relatesTo>1</relatesTo><i> cmaikens@ksu.edu</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, p1-11. 11p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=194356573
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1063/5.0331447
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      – Code: eng
        Text: English
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        PageCount: 11
        StartPage: 1
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      – TitleFull: Implementation of analytical excited state gradients for open-shell systems in time-dependent density functional theory plus tight binding (TDDFT+TB) method.
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            NameFull: Samarasinghe, D. Sulalith N. D.
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            NameFull: Havenridge, Shana
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            NameFull: Aikens, Christine M.
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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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            – TitleFull: Journal of Chemical Physics
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