This book presents the latest theoretical studies giving new predictions and interpretations on the quantum correlation in molecular dynamics induced by ultrashort laser pulses. The author quantifies the amount of correlation in terms of entanglement by employing methods developed in quantum information science, in particular applied to the photoionization of a hydrogen molecule. It is also revealed that the photoelectronion correlation affects the vibrational dynamics of the molecular ion and induces the attosecond-level time delay in the molecular vibration. Furthermore, the book also presents how molecular vibration can couple to photons in a plasmoic nanocavity.
Physicists and chemists interested in the ultrafast molecular dynamics would be the most relevant readers. They can learn how we can employ the quantum-information-science tools to understand the correlation in the molecular dynamics and why we should consider the correlation between thephotoelectron and the molecular ion to describe the ion's dynamics. They can also learn how to treat a molecule coupled to photons in a nanocavity. All the topics are related to the state-of-the-art experiments, and so, it is important to publish these results to enhance the understanding and to induce new experiments to confirm the theory presented.

Is nominated as an outstanding Ph.D. thesis by the University of Tokyo Provides the numerical methods to simulate special molecular systems Presents an introduction to help the reader not familiar with quantum science

Autorentext

Takanori Nishi obtained his Ph.D. degree in 2021 from the department of chemistry at The University of Tokyo in the group of Professor Kaoru Yamanouchi. His research interest is ultrafast molecular dynamics, attosecond laser pulse, and quantum entanglement.

Inhalt

1. General introduction.- 2. Entanglement and coherence created by photoionization of H2.- 3. Time delay in the coherent vibrational motion of H2^+ created by photoionization of H_2.- 4. Molecule in a plasmonic nanocavity.- 5. Summary and outlook.- 6. Appendices.