Semiclassical Molecular Dynamics Simulation Method

by Hiroki Nakamura, Shinkoh Nanbu, Yoshiaki Teranishi

Various quantum mechanical effects such as nonadiabatic transition, tunneling, and interference phenomena play crucial roles in chemical and biological systems. Semiclassical molecular dynamics is an attempt to properly treat these effects in computational simulations, and this book presents and explains how this may be achieved with the use of new methods and theoretical frameworks developed by the authors. This semiclassical approach could provide...

• Format: Hardcover
• Language: English
• ISBN: 9811266344
• ISBN13: 9789811266348
• Release Date: August 2025
• Publisher: World Scientific Publishing Company
• Length: 200 Pages