G. Fronzoni, R. De Francesco, and M. Stener, L2,3 edge photoabsorption spectra of bulk V2O5: a two components relativistic time dependent density functional theory description with finite cluster model J. Chem. Phys., 137 2240308 (2012)

G. Barcaro, L. Sementa, A. Fortunelli, and M. Stener, Optical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations, J. Phys. Chem. C, 118, 12450-12458 (2014)

G. Fronzoni, G. Balducci, R. De Francesco, M. Romeo, and M. Stener, Density Functional Theory Simulation of NEXAFS Spectra of Molecules Adsorbed on Surfaces: C2H4 on Si(100) Case Study J. Phys. Chem. C, 116 18910-18919 (2012).

视频讲解理论（英文）

视频使用的PPT

ADF软件计算设置介绍（注意：1，请将文件下载后阅读，在线阅读有误差；2，内层电子去掉0.5的时候，也需要同时设置Charge为0.5，否则会报错，教程中没有提到这一点。）