Optical spectra of plasmonic Au clusters and nanoparticles obtained using the TDDFT+ U method

Mohit Chaudhary; Jean Lermé; Hans-Christian Weissker

doi:10.1039/d5nr04178c

January 1, 2026NanoscaleOpen Access

Optical spectra of plasmonic Au clusters and nanoparticles obtained using the TDDFT+ U method

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Key Points

This research aims to model the plasmonic behavior of gold clusters considering the influence of d electrons.
Utilized the RT-TDDFT+U method for modeling plasmonic response.
Conducted comparisons with jellium calculations and experimental data.
Analyzed optical spectra of gold nanoparticles.
Observed plasmon energies align closely with jellium calculations.
Found good agreement with experimental results.

Implication

Modeling captures plasmonic response in gold clusters, indicating accurate energy predictions.

Abstract

Modeling plamons in gold clusters is challenging due to the influence of the d electrons. We demonstrate that RT-TDDFT+U accurately captures the plasmonic response, yielding plasmon energies in agreement with jellium calculations and experiment.

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Cite This Study

Chaudhary et al. (2026) studied this question.

synapsesocial.com/papers/6996a879ecb39a600b3ef3be https://doi.org/10.1039/d5nr04178c

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Optical spectra of plasmonic Au clusters and nanoparticles obtained using the TDDFT+ U method

Key Points

Implication

Abstract

Discussion

Cite This Study

Optical spectra of plasmonic Au clusters and nanoparticles obtained using the TDDFT+ U method

Key Points

Implication

Abstract

Discussion

Cite This Study

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