An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications

Nonadiabatic dynamics simulations have rapidly become an indispensable tool for understanding ultrafast photochemical processes in complex systems. Here, we present our recently developed on-the-fly nonadiabatic dynamics package, JADE, which allows researchers to perform nonadiabatic excited-state d...

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Bibliographic Details

Published in:	Journal of chemical theory and computation Vol. 11; no. 4; pp. 1360 - 1374
Main Authors:	Du, Likai, Lan, Zhenggang
Format:	Journal Article
Language:	English
Published:	United States 14.04.2015
Subjects:	Fullerenes - chemistry Molecular Dynamics Simulation Nitriles - chemistry Protons Quinolines - chemistry Software
ISSN:	1549-9626
Online Access:	Get more information
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