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arXiv 1701.09024cond-mat.mes-hallphysics.atm-clus
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Na团簇电子动力学中的耗散和能量平衡

Dissipation and energy balance in electronic dynamics of Na clusters

M. Vincedon, E. Suraud, P. -G. Reinhard

摘要:

研究了耗散对强电磁脉冲激发下金属团簇电子动力学能量平衡的影响。在局域密度近似(LDA)的水平上,采用含时密度泛函理论(TDDFT),在弛豫时间近似(RTA)中加入自相互作用修正项和量子碰撞项,对系统的动力学行为进行了理论描述.我们评估的总激发能,即输出的能量由电子发射,势能由于改变电荷状态,固有的动能和势能,和集体流能量的单独贡献。这些能量的平衡作为激光参数(频率,强度,脉冲长度)的函数和作为系统的大小和电荷的函数进行了研究。我们还研究了与高电荷离子的碰撞,以及对碰撞参量(近距离碰撞与远距离碰撞)的依赖性。耗散原来是小的直接电子发射占上风,即激光频率以上的任何电离阈值,并在遥远的碰撞缓慢的电子提取。对于快速碰撞和低激光频率,特别是共振,耗散很大。

英文摘要:

We investigate the impact of dissipation on the energy balance in the electron dynamics of metal clusters excited by strong electro-magnetic pulses. The dynamics is described theoretically by Time-Dependent Density-Functional Theory (TDDFT) at the level of Local Density Approximation (LDA) augmented by a self interaction correction term and a quantum collision term in Relaxation-Time Approximation (RTA). We evaluate the separate contributions to the total excitation energy, namely energy exported by electron emission, potential energy due to changing charge state, intrinsic kinetic and potential energy, and collective flow energy. The balance of these energies is studied as function of the laser parameters (frequency, intensity, pulse length) and as function of system size and charge. We also look at collisions with a highly charged ion and here at the dependence on the impact parameter (close versus distant collisions). Dissipation turns out to be small where direct electron emission prevails namely for laser frequencies above any ionization threshold and for slow electron extraction in distant collisions. Dissipation is large for fast collisions and at low laser frequencies, particularly at resonances.

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