DD-vMCG quantum dynamics on trans-PSB3 predicts full trans-cis twist at about 250-300 fs, delayed compared to AIMS and surface-hopping benchmarks, with CH stretches required for isomerisation in reduced models.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2025 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Delayed photoisomerisation of the trans-PSB3 retinal toy model using on-the-fly quantum dynamics
DD-vMCG quantum dynamics on trans-PSB3 predicts full trans-cis twist at about 250-300 fs, delayed compared to AIMS and surface-hopping benchmarks, with CH stretches required for isomerisation in reduced models.