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arXiv 2012.08008cond-mat.mes-hall
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耦合Maxwell和含时轨道自由密度泛函计算

Coupled Maxwell and Time-Dependent Orbital Free Density Functional Calculations

Cody Covington, Justin Malave, Kalman Varga

摘要:

耦合麦克斯韦和时间相关的无轨道计算的实施和测试来描述电磁波和物质的相互作用。的电流和诱导场预测的轨道自由计算相比,依赖于时间的密度泛函计算和非常好的协议被发现为各种系统,包括jeltenships片,jeltenships球,原子片,和二十面体集群。

英文摘要:

Coupled Maxwell and time-dependent orbital-free calculations are implemented and tested to describe the interaction of electromagnetic waves and matter. The currents and induced fields predicted by the orbital-free calculations are compared to time-dependent density functional calculations and very good agreement is found for various systems including jellium sheets, jellium spheres, atomistic sheets, and icosahedron clusters.

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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