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arXiv 0906.0073quant-phphysics.chem-ph
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含时密度泛函理论的Bohmian观点

Time-Dependent Density Functional Theory from a Bohmian Perspective

A. S. Sanz, X. Gimenez, J. M. Bofill, S. Miret-Artes

摘要:

这篇文章已作为一个章节发表在“化学反应性理论:密度泛函观点”,编辑P.K. Chattaraj(CRC Press,New York,2009),ch. 8,p. 105.在它,随时间变化的DFT和量子流体力学之间的关系的概述,显示的作用,Bohmian力学可以发挥从头算方法作为一个数值和解释工具。

英文摘要:

This article has been published as a chapter in "Chemical Reactivity Theory: A Density Functional View", ed. P. K. Chattaraj (CRC Press, New York, 2009), ch. 8, p. 105. In it, an overview of the relationship between time-dependent DFT and quantum hydrodynamics is presented, showing the role that Bohmian mechanics can play within the ab-initio methodology as both a numerical and an interpretative tool.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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