Doubly Hybrid Functionals Close to Chemical Accuracy for Both Finite and Extended Systems: Implementation and Test of XYG3 and XYGJ-OS
2021-07-17
Doubly Hybrid Functionals Close to Chemical Accuracy for Both Finite and Extended Systems: Implementation and Test of XYG3 and XYGJ-OS
Authors:Yizhen Wang (王艺臻), Yajing Li (李亚静), Jun Chen (陈俊), Igor Ying Zhang* (张颖), Xin Xu* (徐昕)
JACS Au 2021, 1, 5, 543–549
Publication Date:April 19, 2021
https://doi.org/10.1021/jacsau.1c00011
Abstract