Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties

The quantum Drude oscillator (QDO) is an efficient yet accurate coarse-grained approach that has been widely used to model electronic and optical response properties of atoms and molecules, as well as polarization and dispersion interactions between them. Three effective parameters (frequency, mass,...

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Bibliographic Details

Main Authors:	Góger, Szabolcs, Khabibrakhmanov, Almaz, Vaccarelli, Ornella, Fedorov, Dmitry V, Tkatchenko, Alexandre
Format:	Journal Article
Language:	English
Published:	07-12-2022
Subjects:	Physics - Chemical Physics
Online Access:	Get full text
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