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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Kevin Ma

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Open access Sep 2026

Pre-seeding diabatic anchors for reproducible direct-dynamics quantum photodissociation: an 8-state full-dimensional DD-vMCG study of CH2OO

Direct-dynamics quantum simulations construct a potential-energy representation from electronic-structure data collected at selected nuclear geometries. When these data are accumulated during propagation, the resulting quasi-diabatic potentials can depend on the geometries encountered early in the calculation. We inves...

Kevin Ma, Graham A. Worth · 0 citations

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