【摘 要】
：
Recently,we developed several highly accurate global potential energy surfaces(PESs)of some important systems,including F+HCl、HOCO、F/Cl/O+H2O、H+H2S、H+NH
【机 构】
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SchoolofChemistryandChemicalEngineering,ChongqingUniversity,Chongqing401331
【出 处】
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2016年理论与高性能计算化学国际会议(International Conference on Theoretical
论文部分内容阅读
Recently,we developed several highly accurate global potential energy surfaces(PESs)of some important systems,including F+HCl、HOCO、F/Cl/O+H2O、H+H2S、H+NH3、CH2OO,Ne+C2H2 and OH+CH4,by using permutation invariant polynomial(PIP),neural network(NN),or their combinations,the PIP-NN approach,to fit tens to 100s of thousands points calculated at CCSD(T)or MRCI levels[1-11].
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