物理化学学报2016，Vol.32Issue(1)：119-130,12.DOI:10.3866/PKU.WHXB201512011
基于新一代密度泛函和神经网络势能面的量子反应动力学计算
Quantum Reaction Dynamics Based on a New Generation Density Functional and Neural Network Potential Energy Surfaces
摘要
关键词
密度泛函/势能面/神经网络/第一性原理/反应动力学Key words
Density functional/Potential energy surface/Neural network/First principles/Reaction dynamics分类
化学化工引用本文复制引用
苏乃强,陈俊,徐昕,张东辉..基于新一代密度泛函和神经网络势能面的量子反应动力学计算[J].物理化学学报,2016,32(1):119-130,12.基金项目
The project was supported by the National Natural Science Foundation of China (91427301,91221301,21433009,21133004),National Key Basic Research Program of China (973)(2013CB834601,2013CB834606),and Chinese Academy of Sciences.国家自然科学基金(91427301,91221301,21433009,21133004),国家重点基础研究发展规划项目(973)(2013CB834601,2013CB834606)和中国科学院资助 （91427301,91221301,21433009,21133004）
