2023
DOI: 10.1140/epjs/s11734-023-00923-4
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Quantum molecular dynamics simulations of the effect of secondary modes on the photoisomerization of a retinal chromophore model

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Cited by 4 publications
(1 citation statement)
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“…While the coupling of the trajectories adds computational complexity with respect to independent-trajectory methods, an efficient parallelization scheme could mitigate this increased cost. The scaling of these methods with system size is linear and quadratic with the number of trajectories. Note that when interfaced with ab initio quantum chemistry codes, the computational bottleneck is generally the electronic structure calculations rather than the coupled-trajectory dynamics (since the coupling among the trajectories does not require additional electronic structure calculations).…”
Section: Theoretical Backgroundmentioning
confidence: 99%
“…While the coupling of the trajectories adds computational complexity with respect to independent-trajectory methods, an efficient parallelization scheme could mitigate this increased cost. The scaling of these methods with system size is linear and quadratic with the number of trajectories. Note that when interfaced with ab initio quantum chemistry codes, the computational bottleneck is generally the electronic structure calculations rather than the coupled-trajectory dynamics (since the coupling among the trajectories does not require additional electronic structure calculations).…”
Section: Theoretical Backgroundmentioning
confidence: 99%