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Density Functional Tight-Binding Theory

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1 results in Keywords: Density Functional Tight-Binding Theory

Organic Chemistry

An Accurate, Affordable Density Functional Tight-Binding Model for Excited State Hydrocarbon Polymer Molecular Dynamics

Gautam Stroscio, Cong Huy Pham, Thomas Niehaus, Nir Goldman

Version 1 posted 28 February 2025

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