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Semiclassical Dispersion Correction Model

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1 results in Keywords: Semiclassical Dispersion Correction Model

Theoretical and Computational Chemistry

Smoother Semiclassical Dispersion for Density Functional Theory via D3S: Understanding and Addressing Unphysical Minima in the D3 Dispersion Correction Model

Nikolay Tkachenko, Martin Head-Gordon

Version 1 posted 23 August 2024

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