Del i serien Challenges and Advances in Computational Chemistry and Physics

Semiclassical Nonadiabatic Molecular Dynamics

Theory and Simulation with and without Classical Trajectories

Inbunden, Engelska, 2024

AvChaoyuan Zhu

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This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories.

Produktinformation

Utgivningsdatum2024-08-03
Mått155 x 235 x 21 mm
Vikt652 g
FormatInbunden
SpråkEngelska
SerieChallenges and Advances in Computational Chemistry and Physics
Antal sidor274
FörlagSpringer Verlag, Singapore
ISBN9789819742950

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Chaoyuan Zhu obtained his first doctorate from Institute of Nuclear Research Academia Sinica in China in 1990 and his second doctorate from Institute for Molecular Science in Japan in 1993. He was at Institute for Molecular Science, Japan, as an assistant professor from 1993 to 2002. He spent about three years at University of Minnesota, USA, from 2002 to 2005. Then, he joined the faculty at Department of Applied Chemistry, National Chiao-Tung University, Taiwan, in the fall of 2005 and has become the full professor since 2011. He has been working on development theoretical chemistry method and simulation for excited-state molecular dynamics and spectroscopy, and his current interests are focusing on simple and accurate semiclassical treatments for nonoadiabatic interference, nonoadiabatic coherence/decohernce, and nonoadiabatic tunneling quantum effects and its applications to photochemical dynamics and spectroscopy involving complex bio-molecule and material systems.