Department of Chemistry, University of California, Davis, Davis, 95616, USA.
Chem Soc Rev. 2013 Mar 21;42(6):2437-69. doi: 10.1039/c3cs00007a. Epub 2013 Feb 21.
We describe state of the art methods for the calculation of electronic excitations in solids and molecules, based on many body perturbation theory, and we discuss some applications of these methods to the study of band edges and absorption processes in representative materials used as photoelectrodes for water splitting.
我们描述了基于多体微扰理论计算固体和分子中电子激发态的最新方法,并讨论了这些方法在研究代表性光电化学分解水材料的能带边缘和吸收过程中的一些应用。