利用同位旋相关的量子分子动力学模型研究了中能重离子碰撞中同位旋分馏过程。
The isospin fractionation in intermediate energy heavy ion collisions is studied by using isospin dependence quantum molecular dynamics model.
利用同位旋相关的量子分子动力学模型研究了中能重离子碰撞中库仑作用对同位旋分馏过程的影响 。
The isospin effects on the momentum dissipation induced by the Coulomb interaction in the process of heavy-ion collissions;
通过考虑动力学中的壳效应，对同位旋相关的量子分子动力学模型做了进一步改进，并利用改进的量子分子动力学模型对近垒熔合机制做了动力学研究。
The isospin dependent quantum molecular dynamics model has been further developed by considering shell effect and the fusion mechanism near Coulomb barrier is studied by using the improved model.
量子含时波包方法现在已经成为研究分子反应动力学的一个主要的理论方法。
Time-depended quantum wave packet method has became a major method of studying molecular reaction dynamics.
用量子力学递推方法研究分子光谱和动力学已成为当今理论化学研究的重要趋势之一。
Quantum recursive methods have been one of the major trends in studying molecular spectroscopy and dynamics in current theoretical chemical research.
分子反应动力学是化学反应动力学的一个重要分支。用量子理论来研究分子反应的动力学规律是当前研究的重要课题之一。
Research with quantum theories on the rules of molecular reaction dynamics, which is a main branch of chemical reaction dynamics, is currently one of the most important research topics.
常用的理论计算方法包括量子化学、分子力学、分子动力学、蒙特卡洛方法及自由能计算方法等。
Many theoretical calculation methods are involved, such as quantum chemistry, molecular mechanisms, molecular dynamics, Monte Carlo method and Free Energy calculation and so on.
常用的分子模拟方法有：量子力学法、分子力学方法、蒙特卡洛法和分子动力学法。
In this article, we systematically review several general molecular simulation methods: quantum mechanics methods, Monte Carlo method and molecular dynamics method.
与其他量子力学计算结果比较，表明这种动力学李代数方法在预言有机共轭分子的非线性光学性质上同样有用。
Compared with other quantum calculations, DLA method appears to provide an effective method for the calculation of the hyperpolarizability of conjugated organic molecules.
在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。
In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.
在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。
In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.
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