Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants
块局域波函数的推广及其在激励行列式约束优化中的应用
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.0c01049
Grofe, Adam; Zhao, Ruoqi; Wildman, Andrew; Stetina, Torin F; Li, Xiaosong; Bao, Peng; Gao, Jiali
