Open AccessPredictive optical photoabsorption of Ag24Au(DMBT)18− via efficient TDDFT simulations
Author(s) -
Marco Medves,
Luca Sementa,
Daniele Toffoli,
G. Fronzoni,
Kumaranchira Ramankutty Krishnadas,
Thomas Bürgi,
Sara Bonacchi,
Tiziano Dainese,
Flavio Maran,
Alessandro Fortunelli,
Mauro Stener
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0056869
Subject(s) - time dependent density functional theory , density functional theory , kernel (algebra) , polarizability , diagonal , physics , absorption (acoustics) , computational physics , chemistry , molecular physics , materials science , statistical physics , mathematics , quantum mechanics , optics , molecule , geometry , combinatorics
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