首页> 外文期刊>The Journal of Chemical Physics >Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics
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Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

机译:支持在非相对论时间依赖量子力学中的电子密度和非分析1体外电位之间存在可逆地图

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摘要

Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wave functions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval. Published by AIP Publishing.
机译:提供了初始状态,Runge-Gross定理确定了非相对论电子系统的时间依赖性(TD)外部电位决定了唯一的其Td电子密度,反之亦然(电位最多常数)。本定理要求TD外部电位和密度在传播的初始时间周围达到泰勒可扩展。本文呈现出没有这种限制的延伸。鉴于系统的初始状态和由于一些TD标量电位引起的密度的演变,我们表明扰动(不一定弱)TD电位诱导外力密度的非零分歧,在小空间子集内并且在初始传播时间之后,将导致该子集中的密度的变化,这意味着TD电位唯一地确定TD密度。在该证据中,我们假设在内部和外部力密度,电子密度,电流密度的时间和外部力密度,电子密度,电流密度以及小空间子集中的空间衍生物的时间上统一演变(不暗示分析)短时间间隔。通过AIP发布发布。

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