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transition density matrix

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5 results in Keywords: transition density matrix

Theoretical and Computational Chemistry

Exciton localization and transfer in azobenzene aggregates: A surface hopping molecular dynamics study

Version 1 posted 30 March 2023

265

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Theoretical and Computational Chemistry

Effect of conformational disorder on exciton states of an azobenzene aggregate

Version 1 posted 06 June 2022

219

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Theoretical and Computational Chemistry

The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case

Version 1 posted 30 May 2024

56

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Theoretical and Computational Chemistry

Visible-Light-Induced Exciton Dynamics and Trans-to-Cis Isomerization in Azobenzene Aggregates: Insights from Surface Hopping / Semiempirical Configuration Interaction Molecular Dynamics Simulations

Version 1 posted 04 December 2023

151

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Theoretical and Computational Chemistry

Exciton states of azobenzene aggregates: A first-principles study

Evgenii Titov, Alkit Beqiraj

Version 1 posted 13 December 2022

152

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