On the mapping of time-dependent densities onto potentials in quantum mechanics

被引:39
作者
Baer, Roi [1 ,2 ]
机构
[1] Hebrew Univ Jerusalem, Dept Phys Chem, IL-91904 Jerusalem, Israel
[2] Hebrew Univ Jerusalem, Fritz Haber Res Ctr Mol Dynam, IL-91904 Jerusalem, Israel
基金
以色列科学基金会;
关键词
D O I
10.1063/1.2822124
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The mapping of time-dependent densities on potentials in systems of identical quantum mechanical particles is examined. This mapping is of significance ever since Runge and Gross [Phys. Rev. Lett. 52, 997 (1984)] established its uniqueness, forming the theoretical basis for time-dependent density functional theory. Beyond uniqueness there are two important issues: existence, often called v-representability, and stability. We show that v-representability for localized densities in turn-on situations is not assured and we give a simple example of nonexistence. As for stability, we discuss an inversion procedure and by computing its Lyapunov exponents we demonstrate that the mapping is unstable with respect to fluctuations in the initial state. We argue that such instabilities will plague any inversion procedure. (C) 2008 American Institute of Physics.
引用
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页数:4
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