most citedIon Type Dependence of DNA Electronic Excitation in Water under Proton, alpha-particle, and Carbon Ion Irradiation: A First-Principles Simulation Study

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physics.chem-ph2024

Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation using Real-Time TDDFT

Nicholas J. Boyer, Christopher Shepard, Ruiyi Zhou +2

We present an application of our new theoretical formulation of quantum dynamics, moment propagation theory (MPT) (Boyer et al., J. Chem. Phys. 160, 064113 (2024)), for employing m…

physics.chem-ph2024★ 1 cited

Theory of Moment Propagation for Quantum Dynamics in Single-Particle Description

Nicholas Boyer, Christopher Shepard, Ruiyi Zhou +2

We present a novel theoretical formulation for performing quantum dynamics in terms of moments within the single-particle description. By expressing the quantum dynamics in terms o…