ArticleThe journal of physical chemistry letters2023
Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties.
Article in The journal of physical chemistry letters, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See.Journal of the American Chemical Society · 2025Article
- Molecule-Environment Embedding with Quantum Monte Carlo: Electrons Interacting with Drude Oscillators.Journal of chemical theory and computation · 2025Article
- Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude Oscillators.Journal of chemical theory and computation · 2023Article
- Application of a Fluctuating Charge Polarization Model to Large Polyaromatic Hydrocarbons and Graphene Nanoflakes.The journal of physical chemistry letters · 2023Article
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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, and charge) fully characterize the QDO Hamiltonian and are adjusted to reproduce response properties. However, the soaring success of
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Registered trials
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