研究目的
To solve the coupled Maxwell and time-dependent Kohn-Sham equations using the Riemann-Silberstein vectors for representing electromagnetic fields and to demonstrate the accuracy of momentum-space time propagation of these vectors.
研究成果
The Riemann-Silberstein vector formalism provides an accurate and efficient method for coupling Maxwell's equations with the time-dependent Kohn-Sham equations, enabling the simulation of electromagnetic wave propagation in quantum mechanical systems. The momentum-space propagation of RS vectors offers advantages in terms of stability and accuracy over traditional methods like FDTD, especially in systems where quantum effects are significant.
研究不足
The approach is currently limited to homogeneous systems or systems with abrupt surfaces, and the implementation assumes periodic boundary conditions which may not be suitable for all physical scenarios. The method's accuracy and efficiency in highly inhomogeneous systems or with atomistic details require further testing.
1：Experimental Design and Method Selection:
The study employs the Riemann-Silberstein (RS) vector formalism to represent electromagnetic fields and couples it with the time-dependent Kohn-Sham (TD-KS) equations for electron dynamics. The approach involves momentum-space time propagation of the RS vectors.
2：Sample Selection and Data Sources:
The methodology is tested on jellium systems, which model electrons in a uniform positive background charge, to simulate the interaction of electromagnetic waves with matter.
3：List of Experimental Equipment and Materials:
The study utilizes computational simulations without specifying physical equipment, focusing on numerical methods and algorithms.
4：Experimental Procedures and Operational Workflow:
The RS vectors are propagated in momentum-space using fast-Fourier transforms (FFTs), and the TD-KS equations are solved in real-space with finite-difference methods. The two are coupled through the current density produced by electrons and the electromagnetic fields.
5：Data Analysis Methods:
The accuracy of the approach is assessed by comparing the results with those obtained from the finite-difference time-domain (FDTD) method and by analyzing the stability and convergence of the simulations.
独家科研数据包，助您复现前沿成果，加速创新突破
获取完整内容
