论文标题
2.0.0版-M-SPARC：用于AB-Initio真实空间计算的MATLAB模拟包
Version 2.0.0 -- M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations
论文作者
论文摘要
M-SPARC是用于从头开始的MATLAB代码，可用于KOHN-SHAM密度函数理论模拟。该软件的2.0.0版进一步扩展了其功能，以包括相对论效果，分散相互作用以及高级半/非局部交换 - 相关功能。这些功能大大提高了可以使用M-SPARC执行的第一原理计算的保真度。
M-SPARC is a Matlab code for performing ab initio Kohn-Sham Density Functional Theory simulations. Version 2.0.0 of the software further extends its capability to include relativistic effects, dispersion interactions, and advanced semilocal/nonlocal exchange-correlation functionals. These features significantly increase the fidelity of first principles calculations that can be performed using M-SPARC.
