potential energy surface meaning in English
势能面
位能面
Examples
- An ab initio potential energy surface of he - li2 complex
2体系势能面的从头计算研究 - Wavepacket ; timedependent ; potential energy surface ; reaction cross section ; reaction rate constant ; ozone
波包含时势能面反应截面反应速率臭氧 - Theoretical study on the potential energy surface of the reaction from 2h - azaphosphirene complex to 2h - 1 , 2 - azaphosphole complex
氮磷杂茂络合物反应机理的理论研究 - Our dynamic calculation is carried out on a recent ab initio potential energy surface ( pes ) of jordan and gilbert . the tdwp method also is employed as a computational tool
然后在从头计算法得到的解析势能面( jordanandgilbert )上，采用含时波包法进行了量子计算。 - D hcl reaction has been carried out employing the blrs potential energy surface r schinke . j chem phys , 1980 , 80 : 55105517 . the calculated cross section values are close to the quasiclassical trajectory results and the rate constants are in excellent agreement with experimental results
D hcl反应进行了精确的三维含时量子波包计算。反应截面的计算结果与经典轨线结果符合得很好，反应速率的计算结果与实验结果也符合得非常好。