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The Long Journey from Ab Initio Calculations to Density Functional Theory for Nuclear Large Amplitude Collective Motion

机译:从从头计算到密度泛函的漫长旅程   核大幅度集体运动理论

摘要

At present there are two vastly different ab initio approaches to thedescription of the the many-body dynamics: the Density Functional Theory (DFT)and the functional integral (path integral) approaches. On one hand, ifimplemented exactly, the DFT approach can allow in principle the exactevaluation of arbitrary one-body observable. However, when applied to LargeAmplitude Collective Motion (LACM) this approach needs to be extended in orderto accommodate the phenomenon of surface-hoping, when adiabaticity is stronglyviolated and the description of a system using a single (generalized) Slaterdeterminant is not valid anymore. The functional integral approach on the otherhand does not appear to have such restrictions, but its implementation does notappear to be straightforward endeavor. However, within a functional integralapproach one seems to be able to evaluate in principle any kind of observables,such as the fragment mass and energy distributions in nuclear fission. Thesetwo radically approaches can likely be brought brought together by formulatinga stochastic time-dependent DFT approach to many-body dynamics.
机译:目前,有两种完全不同的从头开始的方法来描述多体动力学:密度泛函理论(DFT)和函数积分(路径积分)方法。一方面,如果精确实施,DFT方法原则上可以允许对可观察到的任意一个人体进行精确评估。但是,当应用于绝大幅度集体运动(LACM)时,这种方法需要扩展,以适应表面跳动的现象;绝热性被严重违反,并且使用单个(广义)Slaterdeterminant的系统的描述不再有效。另一方面,功能积分方法似乎没有这种限制,但是它的实现似乎并不是一件容易的事。但是,在一种功能上的整体方法中,人们似乎能够原则上评估任何可观测的事物,例如核裂变中的碎片质量和能量分布。通过对多体动力学制定一种随机的,与时间有关的DFT方法,可以将这两种根本方法结合在一起。

著录项

  • 作者

    Bulgac, Aurel;

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  • 年度 2010
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  • 原文格式 PDF
  • 正文语种 {"code":"en","name":"English","id":9}
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