论文标题
耦合的麦克斯韦和时间依赖性轨道的无轨道密度功能计算
Coupled Maxwell and Time-Dependent Orbital Free Density Functional Calculations
论文作者
论文摘要
麦克斯韦耦合和时间依赖性的无轨道计算被实施和测试，以描述电磁波和物质的相互作用。将无轨道计算预测的电流和诱导的磁场与时间依赖性密度的功能计算进行了比较，并且对于包括Jellium片，jellium球体，原子片和Icosahedron clusters在内的各种系统中都非常好的一致性。
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.
