ArticleThe journal of physical chemistry. A2023
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au
Article in The journal of physical chemistry. A, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Strong light-matter interactions in hybrid polaritonic systems.Chemical communications (Cambridge, England) · 2026Review
- Freeze-and-Release Direct Optimization Method for Variational Calculations of Excited Electronic States.Journal of chemical theory and computation · 2026Article
- Damped Linear Response TDDFT with Range-Separated Functionals and Density Fitting.The journal of physical chemistry. A · 2025Article
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Authors and funding
6 authors.
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Abstract
The Resolution of Identity (RI) technique has been employed to speed up the use of hybrid exchange-correlation (xc) functionals at the TDDFT level using the Hybrid Diagonal Approximation. The RI has been implemented within the polTDDFT algorithm (a complex damped polarization method) in the AMS/ADF suite of programs. A speedup factor of 30 has been obtained with respect to a previous numerical implementation, albeit with the same level of accuracy. Comparison of TDDFT simulations with the experimental photoabsorption spectra of the cluster series Au
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