المؤلفون: Pierpaolo D’Antoni, Marco Medves, Daniele Toffoli, Alessandro Fortunelli, Mauro Stener, Lucas Visscher

مصطلحات موضوعية: Biophysics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, predict photoabsorption spectra, large metal clusters, experimental photoabsorption spectra, computationally affordable approach, cluster series au, 3 – 6, hybrid diagonal approximation, computationally cheaper tddft, previous numerical implementation, present method represents, 6 , tddft level using, n <, hybrid exchange, tddft simulations, stddft methods, speedup factor, several hundreds, poltddft algorithm, optimal compromise, implemented within, complex species

Relation: https://figshare.com/articles/journal_contribution/A_Resolution_of_Identity_Technique_to_Speed_up_TDDFT_with_Hybrid_Functionals_Implementation_and_Application_to_the_Magic_Cluster_Series_Au_sub_8_i_n_i_4_sub_SC_sub_6_sub_H_sub_5_sub_sub_4_i_n_i_8_sub_i_n_i_3_6_/24470703

الاتاحة: https://doi.org/10.1021/acs.jpca.3c05368.s001
https://figshare.com/articles/journal_contribution/A_Resolution_of_Identity_Technique_to_Speed_up_TDDFT_with_Hybrid_Functionals_Implementation_and_Application_to_the_Magic_Cluster_Series_Au_sub_8_i_n_i_4_sub_SC_sub_6_sub_H_sub_5_sub_sub_4_i_n_i_8_sub_i_n_i_3_6_/24470703