Materials Modelling using Density Functional Theory —— Properties and Predictions

----- 利用密度泛函理论窥视模拟材料：性能及预测

ISBN: 9780199662432 出版年：2014 页码：303 Giustino, Feliciano Oxford University Press

The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.